2-Hexenoic acid, 4,5-dibromo-, methyl ester
TL;DR: 2-Hexenoic acid, 4,5-dibromo-, methyl ester (CAS 89728-24-5) is a chemical compound with molecular formula C7H10Br2O2 and molecular weight 283.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dibromohex-2-enoate
Also Known As: METHYL 4,5-DIBROMOHEX-2-ENOATE, 2-Hexenoic acid, 4,5-dibromo-, methyl ester, 2-Hexenoic acid,4,5-dibromo-,methyl ester
| Molecular Formula | C7H10Br2O2 |
|---|---|
| Molecular Weight | 283.90 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.90475 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 89728-24-5 |
|---|---|
| SMILES | CC(C(C=CC(=O)OC)Br)Br |
| InChIKey | WPDGJLZQRVLHNN-UHFFFAOYSA-N |
Product Overview
2-Hexenoic acid, 4,5-dibromo-, methyl ester (CAS 89728-24-5), with molecular formula C7H10Br2O2 and molecular weight 283.90 g/mol. IUPAC: methyl 4,5-dibromohex-2-enoate.
Chemical Property Profile of 2-Hexenoic acid, 4,5-dibromo-, methyl ester
Property Insights of 2-Hexenoic acid, 4,5-dibromo-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenoic acid, 4,5-dibromo-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Hexenoic acid, 4,5-dibromo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenoic acid, 4,5-dibromo-, methyl 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 2-Hexenoic acid, 4,5-dibromo-, methyl ester?
The CAS number of 2-Hexenoic acid, 4,5-dibromo-, methyl ester is 89728-24-5.
What is the molecular formula of 2-Hexenoic acid, 4,5-dibromo-, methyl ester?
The molecular formula of 2-Hexenoic acid, 4,5-dibromo-, methyl ester is C7H10Br2O2.
What is the molecular weight of 2-Hexenoic acid, 4,5-dibromo-, methyl ester?
The molecular weight of 2-Hexenoic acid, 4,5-dibromo-, methyl ester is 283.90 g/mol.
Where can I buy 2-Hexenoic acid, 4,5-dibromo-, methyl ester?
You can request a quote for 2-Hexenoic acid, 4,5-dibromo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexenoic acid, 4,5-dibromo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexenoic acid, 4,5-dibromo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.