溴西泮
TL;DR: 溴西泮 (CAS 1812-30-2) is a chemical compound with molecular formula C14H10BrN3O and molecular weight 315.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴西泮
7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: bromazepam, Lexotanil, Lectopam, Lexotan, Compedium
| Molecular Formula | C14H10BrN3O |
|---|---|
| Molecular Weight | 315.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.00073 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
| Solubility | 3.99e-02 g/L |
Chemical Identifiers
| CAS Number | 1812-30-2 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3 |
| InChIKey | VMIYHDSEFNYJSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴西泮 (CAS 1812-30-2), with molecular formula C14H10BrN3O and molecular weight 315.00 g/mol. IUPAC: 7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 溴西泮
Property Insights of 溴西泮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴西泮. With a topological polar surface area (TPSA) of 54.4 Ų, 溴西泮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴西泮 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 溴西泮?
The CAS number of 溴西泮 is 1812-30-2.
What is the molecular formula of 溴西泮?
The molecular formula of 溴西泮 is C14H10BrN3O.
What is the molecular weight of 溴西泮?
The molecular weight of 溴西泮 is 315.00 g/mol.
Where can I buy 溴西泮?
You can request a quote for 溴西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴西泮?
Yes, KEHONG BIO provides custom synthesis services for 溴西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.