Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester
TL;DR: Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester (CAS 71795-19-2) is a chemical compound with molecular formula C14H22N4O3S2 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-acetamidophenyl)sulfonyl-N'-[2-(dimethylamino)ethyl]carbamimidothioate
Also Known As: Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester, p-Acetamidobenzenesulfonyl-3 methyl-2 beta-dimethylamino-1 isothiouree [French], p-Acetamidobenzenesulfonyl-3 methyl-2 beta-dimethylamino-1 isothiouree, Methyl N-(4-acetamidobenzene-1-sulfonyl)-N'-[2-(dimethylamino)ethyl]carbamimidothioate, methyl N-(4-acetamidophenyl)sulfonyl-N'-(2-dimethylaminoethyl)carbamimidothioate
| Molecular Formula | C14H22N4O3S2 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 1.2039 |
| Topological Polar Surface Area | 90.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.11334 |
| Heavy Atoms | 23 |
| Complexity | 655.10486 |
Chemical Identifiers
| CAS Number | 71795-19-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCCN(C)C)SC |
Product Overview
Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester (CAS 71795-19-2), with molecular formula C14H22N4O3S2 and molecular weight 358.11 g/mol. IUPAC: methyl N-(4-acetamidophenyl)sulfonyl-N'-[2-(dimethylamino)ethyl]carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester
Property Insights of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester
The XLogP value of 1.2039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester. The TPSA of 90.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester. Following Lipinski's Rule of Five, Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester has 2 hydrogen bond donor(s) and 6 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 Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester?
The CAS number of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester is 71795-19-2.
What is the molecular formula of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester?
The molecular formula of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester is C14H22N4O3S2.
What is the molecular weight of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester?
The molecular weight of Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester is 358.11 g/mol.
Where can I buy Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester?
You can request a quote for Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-((2-dimethylamino)ethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.