Methalthiazide
TL;DR: Methalthiazide (CAS 56111-43-4) is a chemical compound with molecular formula C12H16ClN3O4S3 and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: Methalthiazide, Methalthiazide [USAN], Methalthiazide (USAN), METHALTHIAZIDE [WHO-DD], P-2530
| Molecular Formula | C12H16ClN3O4S3 |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.99915 |
| Heavy Atoms | 23 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 56111-43-4 |
|---|---|
| SMILES | CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC=C |
| InChIKey | BDNLIZHZILNCGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methalthiazide (CAS 56111-43-4), with molecular formula C12H16ClN3O4S3 and molecular weight 397.00 g/mol. IUPAC: 6-chloro-2-methyl-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of Methalthiazide
Property Insights of Methalthiazide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methalthiazide. The TPSA of 152.0 Ų indicates high polarity, suggesting Methalthiazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methalthiazide has 2 hydrogen bond donor(s) and 8 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 Methalthiazide?
The CAS number of Methalthiazide is 56111-43-4.
What is the molecular formula of Methalthiazide?
The molecular formula of Methalthiazide is C12H16ClN3O4S3.
What is the molecular weight of Methalthiazide?
The molecular weight of Methalthiazide is 397.00 g/mol.
Where can I buy Methalthiazide?
You can request a quote for Methalthiazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methalthiazide?
Yes, KEHONG BIO provides custom synthesis services for Methalthiazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.