Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester
TL;DR: Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester (CAS 71992-10-4) is a chemical compound with molecular formula C10H6BrIO2 and molecular weight 363.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodoprop-2-ynyl 2-bromobenzoate
Also Known As: 3-iodoprop-2-ynyl 2-bromobenzoate, Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester, 3-iodoprop-2-yn-1-yl 2-bromobenzoate, A-Nor-3-thiaestra-1,5(10)-dien-17beta-ol
| Molecular Formula | C10H6BrIO2 |
|---|---|
| Molecular Weight | 363.86 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.8596 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 71992-10-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC#CI)Br |
| InChIKey | KZJWHZKDQSYZSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester (CAS 71992-10-4), with molecular formula C10H6BrIO2 and molecular weight 363.86 g/mol. IUPAC: 3-iodoprop-2-ynyl 2-bromobenzoate.
Chemical Property Profile of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester
Property Insights of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 2-bromo-, 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 26.3 Ų, Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester has 0 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 Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester?
The CAS number of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester is 71992-10-4.
What is the molecular formula of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester?
The molecular formula of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester is C10H6BrIO2.
What is the molecular weight of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester?
The molecular weight of Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester is 363.86 g/mol.
Where can I buy Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester?
You can request a quote for Benzoic acid, 2-bromo-, 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 Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-bromo-, 3-iodo-2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.