氯噻西泮
TL;DR: 氯噻西泮 (CAS 33671-46-4) is a chemical compound with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯噻西泮
5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
Also Known As: clotiazepam, Rize, Trecalmo, Rizen, Tienor
| Molecular Formula | C16H15ClN2OS |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.05936 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
| Melting Point | 105-106 |
| Solubility | 5.37e-03 g/L |
Chemical Identifiers
| CAS Number | 33671-46-4 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C |
| InChIKey | CHBRHODLKOZEPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯噻西泮 (CAS 33671-46-4), with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol. IUPAC: 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
Chemical Property Profile of 氯噻西泮
Property Insights of 氯噻西泮
The XLogP value of 3.5 indicates that 氯噻西泮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯噻西泮. Following Lipinski's Rule of Five, 氯噻西泮 has 0 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 氯噻西泮?
The CAS number of 氯噻西泮 is 33671-46-4.
What is the molecular formula of 氯噻西泮?
The molecular formula of 氯噻西泮 is C16H15ClN2OS.
What is the molecular weight of 氯噻西泮?
The molecular weight of 氯噻西泮 is 318.06 g/mol.
Where can I buy 氯噻西泮?
You can request a quote for 氯噻西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯噻西泮?
Yes, KEHONG BIO provides custom synthesis services for 氯噻西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.