I had a similar dilemma when my company car 320d came to the end of its 3 year contract. The leasing company gave me a price right at the top end of the open market price range. This wad a few years ago and I have not regretted my decision to buy it. It was a known entity, and therefore so much less risk than anything off a forecourt, even a main dealer forecourt with BMW warranty.
I think the leasing companies are well aware of the situation and know they can price accordingly. They exist to maximise their returns and only to be expected really.
You do make the 420 gran coupe sound a nice car. Sooner or later my aging 320d will come to the end if its life, or will cost me if I want to drive it to certain places, so perhaps I should look at one of these. As you say, there are some used petrol ines around, tho I've not spotted your particular version at a main dealer. Main dealer is probably where I'd want to be with one of these, but you already have a known good one.
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