TL;DR: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- (CAS 112058-96-5) is a chemical compound with molecular formula C23H16N2O2 and molecular weight 352.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
Also Known As: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)-, 6-(Phenylmethyl)-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one, 6-Benzyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
| Molecular Formula | C23H16N2O2 |
| Molecular Weight | 352.1212 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.1212 Da |
| Heavy Atoms | 27 |
| Complexity | 634.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3N=CC4=C2OC5=CC=CC=C5C4=O |
| InChIKey | FWOVEZYLMUTLIA-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- is 112058-96-5.
The molecular formula of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- is C23H16N2O2.
The molecular weight of (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)- is 352.1212 g/mol.
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