Pentachloro-3-butenoic acid chloride
TL;DR: Pentachloro-3-butenoic acid chloride (CAS 680-52-4) is a chemical compound with molecular formula C4Cl6O and molecular weight 273.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,4,4-pentachlorobut-3-enoyl chloride
Also Known As: Pentachloro-3-butenoyl chloride, C4Cl6O, Pentachloro-3-butenoic acid chloride, Perchloro-3-butenoic acid chloride, pentachloro-3-butenoicacidchloride
| Molecular Formula | C4Cl6O |
|---|---|
| Molecular Weight | 273.81 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.80508 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 680-52-4 |
|---|---|
| SMILES | C(=C(Cl)Cl)(C(C(=O)Cl)(Cl)Cl)Cl |
| InChIKey | YWBSILUOCLPVTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachloro-3-butenoic acid chloride (CAS 680-52-4), with molecular formula C4Cl6O and molecular weight 273.81 g/mol. IUPAC: 2,2,3,4,4-pentachlorobut-3-enoyl chloride.
Chemical Property Profile of Pentachloro-3-butenoic acid chloride
Property Insights of Pentachloro-3-butenoic acid chloride
The XLogP value of 4.3 indicates that Pentachloro-3-butenoic acid chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Pentachloro-3-butenoic acid chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloro-3-butenoic acid chloride has 0 hydrogen bond donor(s) and 1 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 Pentachloro-3-butenoic acid chloride?
The CAS number of Pentachloro-3-butenoic acid chloride is 680-52-4.
What is the molecular formula of Pentachloro-3-butenoic acid chloride?
The molecular formula of Pentachloro-3-butenoic acid chloride is C4Cl6O.
What is the molecular weight of Pentachloro-3-butenoic acid chloride?
The molecular weight of Pentachloro-3-butenoic acid chloride is 273.81 g/mol.
Where can I buy Pentachloro-3-butenoic acid chloride?
You can request a quote for Pentachloro-3-butenoic acid chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachloro-3-butenoic acid chloride?
Yes, KEHONG BIO provides custom synthesis services for Pentachloro-3-butenoic acid chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.