Carbanilic acid, 3-chloro-, 2-butenylene ester
TL;DR: Carbanilic acid, 3-chloro-, 2-butenylene ester (CAS 3159-29-3) is a chemical compound with molecular formula C18H14Cl2N2O4 and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: Carbanilic acid, 3-chloro-, 2-butenylene ester, 3-Chlorocarbanilic acid 2-butenylene ester, 2-Butinylen-bis-N-3-chlorfenyl karbamat, 2-Butinylen-bis-N-3-chlorfenyl karbamat [Czech], 4-12-00-01151 (Beilstein Handbook Reference)
| Molecular Formula | C18H14Cl2N2O4 |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.03305 |
| Heavy Atoms | 26 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 3159-29-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCOC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | PXWJNTIDFAQYNZ-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, 3-chloro-, 2-butenylene ester (CAS 3159-29-3), with molecular formula C18H14Cl2N2O4 and molecular weight 392.03 g/mol. IUPAC: 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 3-chloro-, 2-butenylene ester
Property Insights of Carbanilic acid, 3-chloro-, 2-butenylene ester
The XLogP value of 4.1 indicates that Carbanilic acid, 3-chloro-, 2-butenylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, 3-chloro-, 2-butenylene ester. Following Lipinski's Rule of Five, Carbanilic acid, 3-chloro-, 2-butenylene ester has 2 hydrogen bond donor(s) and 4 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 Carbanilic acid, 3-chloro-, 2-butenylene ester?
The CAS number of Carbanilic acid, 3-chloro-, 2-butenylene ester is 3159-29-3.
What is the molecular formula of Carbanilic acid, 3-chloro-, 2-butenylene ester?
The molecular formula of Carbanilic acid, 3-chloro-, 2-butenylene ester is C18H14Cl2N2O4.
What is the molecular weight of Carbanilic acid, 3-chloro-, 2-butenylene ester?
The molecular weight of Carbanilic acid, 3-chloro-, 2-butenylene ester is 392.03 g/mol.
Where can I buy Carbanilic acid, 3-chloro-, 2-butenylene ester?
You can request a quote for Carbanilic acid, 3-chloro-, 2-butenylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 3-chloro-, 2-butenylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 3-chloro-, 2-butenylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.