Butyl (3,4-dichloroanilino)carbonylcarbamate
TL;DR: Butyl (3,4-dichloroanilino)carbonylcarbamate (CAS 115956-71-3) is a chemical compound with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-[(3,4-dichlorophenyl)carbamoyl]carbamate
Also Known As: butyl (3,4-dichloroanilino)carbonylcarbamate, Butyl N-[(3,4-dichlorophenyl)carbamoyl]carbamate, Butyl N-(N-(3,4-dichlorophenyl)carbamoyl)carbamate
| Molecular Formula | C12H14Cl2N2O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 4.0516 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.03815 |
| Heavy Atoms | 19 |
| Complexity | 466.28775 |
Chemical Identifiers
| CAS Number | 115956-71-3 |
|---|---|
| SMILES | CCCCOC(=O)NC(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
Butyl (3,4-dichloroanilino)carbonylcarbamate (CAS 115956-71-3), with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol. IUPAC: butyl N-[(3,4-dichlorophenyl)carbamoyl]carbamate.
Chemical Property Profile of Butyl (3,4-dichloroanilino)carbonylcarbamate
Property Insights of Butyl (3,4-dichloroanilino)carbonylcarbamate
The XLogP value of 4.0516 indicates that Butyl (3,4-dichloroanilino)carbonylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl (3,4-dichloroanilino)carbonylcarbamate. Following Lipinski's Rule of Five, Butyl (3,4-dichloroanilino)carbonylcarbamate has 2 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)carbonylcarbamate?
The CAS number of Butyl (3,4-dichloroanilino)carbonylcarbamate is 115956-71-3.
What is the molecular formula of Butyl (3,4-dichloroanilino)carbonylcarbamate?
The molecular formula of Butyl (3,4-dichloroanilino)carbonylcarbamate is C12H14Cl2N2O3.
What is the molecular weight of Butyl (3,4-dichloroanilino)carbonylcarbamate?
The molecular weight of Butyl (3,4-dichloroanilino)carbonylcarbamate is 304.04 g/mol.
Where can I buy Butyl (3,4-dichloroanilino)carbonylcarbamate?
You can request a quote for Butyl (3,4-dichloroanilino)carbonylcarbamate 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)carbonylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (3,4-dichloroanilino)carbonylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.