地莫西泮
TL;DR: 地莫西泮 (CAS 963-39-3) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地莫西泮
7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: Demoxepam, Chlordiazepoxide lactam, Demossepam, Demoxepamum, Demossepam [DCIT]
| Molecular Formula | C15H11ClN2O2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0509 |
| Heavy Atoms | 20 |
| Complexity | 554.0 |
| Solubility | 37.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 963-39-3 |
|---|---|
| SMILES | C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl |
| InChIKey | PSADRZMLSXCSAS-UHFFFAOYSA-N |
Product Overview
地莫西泮 (CAS 963-39-3), with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol. IUPAC: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 地莫西泮
Property Insights of 地莫西泮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地莫西泮. With a topological polar surface area (TPSA) of 52.9 Ų, 地莫西泮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地莫西泮 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 地莫西泮?
The CAS number of 地莫西泮 is 963-39-3.
What is the molecular formula of 地莫西泮?
The molecular formula of 地莫西泮 is C15H11ClN2O2.
What is the molecular weight of 地莫西泮?
The molecular weight of 地莫西泮 is 286.05 g/mol.
Where can I buy 地莫西泮?
You can request a quote for 地莫西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地莫西泮?
Yes, KEHONG BIO provides custom synthesis services for 地莫西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.