2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
TL;DR: 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 4640-66-8) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Also Known As: 1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one, 4-Chlorobenzoylacetonitrile, 1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4640-66-8 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2NC1=O |
| InChIKey | XTDMZEZDXXJVMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 4640-66-8), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Property Insights of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.1 Ų, 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one has 2 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 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The CAS number of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 4640-66-8.
What is the molecular formula of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is C9H10N2O.
What is the molecular weight of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 162.08 g/mol.
Where can I buy 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 2,3,4,5-tetrahydro-1H-1,5-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 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.