2-Butenoic acid, pentachlorophenyl ester
TL;DR: 2-Butenoic acid, pentachlorophenyl ester (CAS 20031-89-4) is a chemical compound with molecular formula C10H5Cl5O2 and molecular weight 331.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) but-2-enoate
Also Known As: 2-Butenoic acid, pentachlorophenyl ester, PENTACHLOROPHENYL BUT-2-ENOATE, (2,3,4,5,6-pentachlorophenyl) but-2-enoate
| Molecular Formula | C10H5Cl5O2 |
|---|---|
| Molecular Weight | 331.87 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.87323 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 20031-89-4 |
|---|---|
| SMILES | CC=CC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | DVELYJGODWXFNI-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, pentachlorophenyl ester (CAS 20031-89-4), with molecular formula C10H5Cl5O2 and molecular weight 331.87 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, pentachlorophenyl ester
Property Insights of 2-Butenoic acid, pentachlorophenyl ester
The XLogP value of 5.6 indicates that 2-Butenoic acid, pentachlorophenyl 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, 2-Butenoic acid, pentachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, pentachlorophenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butenoic acid, pentachlorophenyl ester?
The CAS number of 2-Butenoic acid, pentachlorophenyl ester is 20031-89-4.
What is the molecular formula of 2-Butenoic acid, pentachlorophenyl ester?
The molecular formula of 2-Butenoic acid, pentachlorophenyl ester is C10H5Cl5O2.
What is the molecular weight of 2-Butenoic acid, pentachlorophenyl ester?
The molecular weight of 2-Butenoic acid, pentachlorophenyl ester is 331.87 g/mol.
Where can I buy 2-Butenoic acid, pentachlorophenyl ester?
You can request a quote for 2-Butenoic acid, pentachlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, pentachlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, pentachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.