氯拉西酸
TL;DR: 氯拉西酸 (CAS 23887-31-2) is a chemical compound with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯拉西酸
7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
Also Known As: clorazepate, Clorazepic acid, Chlorazepate, Cchlorazepic acid, Tranxene
| Molecular Formula | C16H11ClN2O3 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0458 |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
| Melting Point | 228-235°C |
| Solubility | Very soluble |
Chemical Identifiers
| CAS Number | 23887-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O |
| InChIKey | XDDJGVMJFWAHJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯拉西酸 (CAS 23887-31-2), with molecular formula C16H11ClN2O3 and molecular weight 314.05 g/mol. IUPAC: 7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid.
Chemical Property Profile of 氯拉西酸
Property Insights of 氯拉西酸
The XLogP value of 3.3 indicates that 氯拉西酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯拉西酸. Following Lipinski's Rule of Five, 氯拉西酸 has 2 hydrogen bond donor(s) and 4 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 氯拉西酸?
The CAS number of 氯拉西酸 is 23887-31-2.
What is the molecular formula of 氯拉西酸?
The molecular formula of 氯拉西酸 is C16H11ClN2O3.
What is the molecular weight of 氯拉西酸?
The molecular weight of 氯拉西酸 is 314.05 g/mol.
Where can I buy 氯拉西酸?
You can request a quote for 氯拉西酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯拉西酸?
Yes, KEHONG BIO provides custom synthesis services for 氯拉西酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.