4-hydroxy-3H-1,4-benzodiazepin-2-one
TL;DR: 4-hydroxy-3H-1,4-benzodiazepin-2-one (CAS 16780-57-7) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3H-1,4-benzodiazepin-2-one
Also Known As: 4-hydroxy-3H-1,4-benzodiazepin-2-one, 4-Oxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one, 4-Hydroxy-3,4-dihydro-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-, 4-oxide
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 16780-57-7 |
|---|---|
| SMILES | C1C(=O)N=C2C=CC=CC2=CN1O |
| InChIKey | ZHTGCABWKDVXQV-UHFFFAOYSA-N |
Product Overview
4-hydroxy-3H-1,4-benzodiazepin-2-one (CAS 16780-57-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 4-hydroxy-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 4-hydroxy-3H-1,4-benzodiazepin-2-one
Property Insights of 4-hydroxy-3H-1,4-benzodiazepin-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-3H-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 52.9 Ų, 4-hydroxy-3H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-3H-1,4-benzodiazepin-2-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-hydroxy-3H-1,4-benzodiazepin-2-one?
The CAS number of 4-hydroxy-3H-1,4-benzodiazepin-2-one is 16780-57-7.
What is the molecular formula of 4-hydroxy-3H-1,4-benzodiazepin-2-one?
The molecular formula of 4-hydroxy-3H-1,4-benzodiazepin-2-one is C9H8N2O2.
What is the molecular weight of 4-hydroxy-3H-1,4-benzodiazepin-2-one?
The molecular weight of 4-hydroxy-3H-1,4-benzodiazepin-2-one is 176.06 g/mol.
Where can I buy 4-hydroxy-3H-1,4-benzodiazepin-2-one?
You can request a quote for 4-hydroxy-3H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-3H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.