1H-1,4-Benzodiazepine
TL;DR: 1H-1,4-Benzodiazepine (CAS 41935-47-1) is a chemical compound with molecular formula C9H8N2 and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,4-benzodiazepine
Also Known As: 1,4-Benzodiazepine, 1H-1,4-Benzodiazepine, Benzodiazepine, [1,4]benzodiazepin, (1,4]benzodiazepine
| Molecular Formula | C9H8N2 |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.06874 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 41935-47-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=CN2 |
| InChIKey | GUJAGMICFDYKNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,4-Benzodiazepine (CAS 41935-47-1), with molecular formula C9H8N2 and molecular weight 144.07 g/mol. IUPAC: 1H-1,4-benzodiazepine.
Chemical Property Profile of 1H-1,4-Benzodiazepine
Property Insights of 1H-1,4-Benzodiazepine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Benzodiazepine. With a topological polar surface area (TPSA) of 24.4 Ų, 1H-1,4-Benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,4-Benzodiazepine 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 1H-1,4-Benzodiazepine?
The CAS number of 1H-1,4-Benzodiazepine is 41935-47-1.
What is the molecular formula of 1H-1,4-Benzodiazepine?
The molecular formula of 1H-1,4-Benzodiazepine is C9H8N2.
What is the molecular weight of 1H-1,4-Benzodiazepine?
The molecular weight of 1H-1,4-Benzodiazepine is 144.07 g/mol.
Where can I buy 1H-1,4-Benzodiazepine?
You can request a quote for 1H-1,4-Benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.