甲氯噻嗪
TL;DR: 甲氯噻嗪 (CAS 135-07-9) is a chemical compound with molecular formula C9H11Cl2N3O4S2 and molecular weight 358.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氯噻嗪
6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: methyclothiazide, Enduron, Aquatensen, Methyclothiazid, Duretic
| Molecular Formula | C9H11Cl2N3O4S2 |
|---|---|
| Molecular Weight | 358.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.95682 |
| Heavy Atoms | 20 |
| Complexity | 571.0 |
| Melting Point | 225 |
| Solubility | 11.2 |
Chemical Identifiers
| CAS Number | 135-07-9 |
|---|---|
| SMILES | CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl |
| InChIKey | CESYKOGBSMNBPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氯噻嗪 (CAS 135-07-9), with molecular formula C9H11Cl2N3O4S2 and molecular weight 358.96 g/mol. IUPAC: 6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 甲氯噻嗪
Property Insights of 甲氯噻嗪
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氯噻嗪. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氯噻嗪. Following Lipinski's Rule of Five, 甲氯噻嗪 has 2 hydrogen bond donor(s) and 7 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 甲氯噻嗪?
The CAS number of 甲氯噻嗪 is 135-07-9.
What is the molecular formula of 甲氯噻嗪?
The molecular formula of 甲氯噻嗪 is C9H11Cl2N3O4S2.
What is the molecular weight of 甲氯噻嗪?
The molecular weight of 甲氯噻嗪 is 358.96 g/mol.
Where can I buy 甲氯噻嗪?
You can request a quote for 甲氯噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氯噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 甲氯噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.