4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
TL;DR: 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one (CAS 94295-79-1) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-9-hydroxy-3H-1,4-benzodiazepin-5-one
Also Known As: 4-benzyl-9-hydroxy-3H-1,4-benzodiazepin-5-one, 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 94295-79-1 |
|---|---|
| SMILES | C1C=NC2=C(C=CC=C2O)C(=O)N1CC3=CC=CC=C3 |
| InChIKey | UNEUWJIPUWFLKF-UHFFFAOYSA-N |
Product Overview
4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one (CAS 94295-79-1), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 4-benzyl-9-hydroxy-3H-1,4-benzodiazepin-5-one.
Chemical Property Profile of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Property Insights of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one. With a topological polar surface area (TPSA) of 52.9 Ų, 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The CAS number of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one is 94295-79-1.
What is the molecular formula of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The molecular formula of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one is C16H14N2O2.
What is the molecular weight of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The molecular weight of 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one is 266.11 g/mol.
Where can I buy 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
You can request a quote for 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-9-hydroxy-3,4-dihydro-5H-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.