Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester
TL;DR: Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester (CAS 81466-80-0) is a chemical compound with molecular formula C10H6Cl2INO2 and molecular weight 368.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-2-ynyl N-(2,4-dichlorophenyl)carbamate
Also Known As: 3-Iodo-2-propynyl 2,4-dichlorophenylcarbamate, 2,4-Dichlorocarbanilic acid 3-iodo-2-propynyl ester, 2,4-Dichlorocarbanilicacid3-iodo-2-propynylester, CARBANILIC ACID, 2,4-DICHLORO-, 3-IODO-2-PROPYNYL ESTER, 3-iodoprop-2-ynyl N-(2,4-dichlorophenyl)carbamate
| Molecular Formula | C10H6Cl2INO2 |
|---|---|
| Molecular Weight | 368.88 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.88202 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 81466-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)NC(=O)OCC#CI |
| InChIKey | XHGFFVKKNSRZJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester (CAS 81466-80-0), with molecular formula C10H6Cl2INO2 and molecular weight 368.88 g/mol. IUPAC: 3-iodoprop-2-ynyl N-(2,4-dichlorophenyl)carbamate.
Chemical Property Profile of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester
Property Insights of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester
The XLogP value of 3.5 indicates that Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester has 1 hydrogen bond donor(s) and 2 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, 2,4-dichloro-, 3-iodo-2-propynyl ester?
The CAS number of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester is 81466-80-0.
What is the molecular formula of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester?
The molecular formula of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester is C10H6Cl2INO2.
What is the molecular weight of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester?
The molecular weight of Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester is 368.88 g/mol.
Where can I buy Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester?
You can request a quote for Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl 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, 2,4-dichloro-, 3-iodo-2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2,4-dichloro-, 3-iodo-2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.