Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate
TL;DR: Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate (CAS 115956-38-2) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[(3,4-dichlorophenyl)carbamoyl]-N-methylcarbamate
Also Known As: butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate, Butyl N-[(3,4-dichlorophenyl)carbamoyl]-N-methyl-carbamate, butyl N-[(3,4-dichlorophenyl)carbamoyl]-N-methylcarbamate, butyl n-(n-(3,4-dichlorophenyl)carbamoyl)-n-methylcarbamate
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 4.3938 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 494.50467 |
Chemical Identifiers
| CAS Number | 115956-38-2 |
|---|---|
| SMILES | CCCCOC(=O)N(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate (CAS 115956-38-2), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: butyl N-[(3,4-dichlorophenyl)carbamoyl]-N-methylcarbamate.
Chemical Property Profile of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate
Property Insights of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate
The XLogP value of 4.3938 indicates that Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate has 1 hydrogen bond donor(s) and 3 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 Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate?
The CAS number of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate is 115956-38-2.
What is the molecular formula of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate?
The molecular formula of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate is C13H16Cl2N2O3.
What is the molecular weight of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate?
The molecular weight of Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate is 318.05 g/mol.
Where can I buy Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate?
You can request a quote for Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (3,4-dichloroanilino)carbonyl(methyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.