RefChem:1080996
TL;DR: RefChem:1080996 (CAS 71795-20-5) is a chemical compound with molecular formula C14H21N3O5S2 and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-acetamidophenyl)sulfonyl-N'-(2,2-dimethoxyethyl)carbamimidothioate
Also Known As: N'-((4-(Acetylamino)phenyl)sulfonyl)-N-(2,2-dimethoxyethyl)carbamimidothioic acid, Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-(2,2-dimethoxyethyl)-,, p-Acetamidobenzenesulfonyl-3 (dimethoxy-2,2 ethyl)-1 methyl-2 isothiouree [French], p-Acetamidobenzenesulfonyl-3 (dimethoxy-2,2 ethyl)-1 methyl-2 isothiouree, Carbamimidothioic acid, N'-((4-(acetylamino)phenyl)sulfonyl)-N-(2,2-dimethoxyethyl)-
| Molecular Formula | C14H21N3O5S2 |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 1.2612 |
| Topological Polar Surface Area | 106.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.09225 |
| Heavy Atoms | 24 |
| Complexity | 670.1553 |
Chemical Identifiers
| CAS Number | 71795-20-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC(OC)OC)SC |
Product Overview
RefChem:1080996 (CAS 71795-20-5), with molecular formula C14H21N3O5S2 and molecular weight 375.09 g/mol. IUPAC: methyl N-(4-acetamidophenyl)sulfonyl-N'-(2,2-dimethoxyethyl)carbamimidothioate.
Chemical Property Profile of RefChem:1080996
Property Insights of RefChem:1080996
The XLogP value of 1.2612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080996. The TPSA of 106.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080996. Following Lipinski's Rule of Five, RefChem:1080996 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 RefChem:1080996?
The CAS number of RefChem:1080996 is 71795-20-5.
What is the molecular formula of RefChem:1080996?
The molecular formula of RefChem:1080996 is C14H21N3O5S2.
What is the molecular weight of RefChem:1080996?
The molecular weight of RefChem:1080996 is 375.09 g/mol.
Where can I buy RefChem:1080996?
You can request a quote for RefChem:1080996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.