3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-
TL;DR: 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- (CAS 16780-62-4) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-, 1,3-dihydro-1,4-benzodiazepin-2-one, 1H-1,4-Benzodiazepine-2(3H)-one, 1,2-dihydro-3h-1,4-benzodiazepin-2-one, 1,3-dihydro-2h-1,4-benzodiazepin-2-one
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 16780-62-4 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2C=N1 |
| InChIKey | UDLAUVFRZXIQJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- (CAS 16780-62-4), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-
Property Insights of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-. With a topological polar surface area (TPSA) of 41.5 Ų, 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- has 1 hydrogen bond donor(s) and 2 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 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-?
The CAS number of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- is 16780-62-4.
What is the molecular formula of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-?
The molecular formula of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- is C9H8N2O.
What is the molecular weight of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-?
The molecular weight of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- is 160.06 g/mol.
Where can I buy 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-?
You can request a quote for 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.