2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate
TL;DR: 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate (CAS 338794-08-4) is a chemical compound with molecular formula C13H12Cl2N2O4S2 and molecular weight 393.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-yl] N,N-dimethylsulfamate
Also Known As: Bionet1_000956, 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate, [2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-yl] N,N-dimethylsulfamate, 2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-yl N,N-dimethylsulfamate, 2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-ylN,N-dimethylsulfamate
| Molecular Formula | C13H12Cl2N2O4S2 |
|---|---|
| Molecular Weight | 393.96 g/mol |
| LogP | 3.4924 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.96155 |
| Heavy Atoms | 23 |
| Complexity | 834.2501 |
Chemical Identifiers
| CAS Number | 338794-08-4 |
|---|---|
| SMILES | CN(C)S(=O)(=O)OC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate (CAS 338794-08-4), with molecular formula C13H12Cl2N2O4S2 and molecular weight 393.96 g/mol. IUPAC: [2-[(3,4-dichlorophenyl)carbamoyl]thiophen-3-yl] N,N-dimethylsulfamate.
Chemical Property Profile of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate
Property Insights of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate
The XLogP value of 3.4924 indicates that 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate. Following Lipinski's Rule of Five, 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate has 1 hydrogen bond donor(s) and 5 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 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate?
The CAS number of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate is 338794-08-4.
What is the molecular formula of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate?
The molecular formula of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate is C13H12Cl2N2O4S2.
What is the molecular weight of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate?
The molecular weight of 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate is 393.96 g/mol.
Where can I buy 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate?
You can request a quote for 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-dichloroanilino)carbonyl]-3-thienyl-N,N-dimethylsulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.