Methyclothiazide related compound A
TL;DR: Methyclothiazide related compound A (CAS 13659-98-8) is a chemical compound with molecular formula C7H10ClN3O4S2 and molecular weight 298.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-chloro-3-N-methylbenzene-1,3-disulfonamide
Also Known As: Methyclothiazide related compound A, USP methyclothiazide related compound A RS, 4-amino-6-chloro-3-N-methylbenzene-1,3-disulfonamide, Methyclothiazide related compound A [USP], 4-Amino-6-chloro-N3-methyl-1,3-benzenedisulfonamide
| Molecular Formula | C7H10ClN3O4S2 |
|---|---|
| Molecular Weight | 298.98 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.98013 |
| Heavy Atoms | 17 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 13659-98-8 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)N |
| InChIKey | HZLMCYKKQJTLER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyclothiazide related compound A (CAS 13659-98-8), with molecular formula C7H10ClN3O4S2 and molecular weight 298.98 g/mol. IUPAC: 4-amino-6-chloro-3-N-methylbenzene-1,3-disulfonamide.
Chemical Property Profile of Methyclothiazide related compound A
Property Insights of Methyclothiazide related compound A
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyclothiazide related compound A. The TPSA of 149.0 Ų indicates high polarity, suggesting Methyclothiazide related compound A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyclothiazide related compound A has 3 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 Methyclothiazide related compound A?
The CAS number of Methyclothiazide related compound A is 13659-98-8.
What is the molecular formula of Methyclothiazide related compound A?
The molecular formula of Methyclothiazide related compound A is C7H10ClN3O4S2.
What is the molecular weight of Methyclothiazide related compound A?
The molecular weight of Methyclothiazide related compound A is 298.98 g/mol.
Where can I buy Methyclothiazide related compound A?
You can request a quote for Methyclothiazide related compound A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyclothiazide related compound A?
Yes, KEHONG BIO provides custom synthesis services for Methyclothiazide related compound A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.