n-Butyl perchlorocrotonate
TL;DR: n-Butyl perchlorocrotonate (CAS 22308-32-3) is a chemical compound with molecular formula C8H9Cl5O2 and molecular weight 311.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (E)-2,3,4,4,4-pentachlorobut-2-enoate
Also Known As: n-butyl perchlorocrotonate, Pentachlorocrotonic acid butyl ester, butyl 2,3,4,4,4-pentachlorobut-2-enoate, butyl2,3,4,4,4-pentachlorocrotonate, butyl (E)-2,3,4,4,4-pentachlorobut-2-enoate
| Molecular Formula | C8H9Cl5O2 |
|---|---|
| Molecular Weight | 311.90 g/mol |
| LogP | 4.3891 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.9045 |
| Heavy Atoms | 15 |
| Complexity | 256.24786 |
Chemical Identifiers
| CAS Number | 22308-32-3 |
|---|---|
| SMILES | CCCCOC(=O)/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl |
Product Overview
n-Butyl perchlorocrotonate (CAS 22308-32-3), with molecular formula C8H9Cl5O2 and molecular weight 311.90 g/mol. IUPAC: butyl (E)-2,3,4,4,4-pentachlorobut-2-enoate.
Chemical Property Profile of n-Butyl perchlorocrotonate
Property Insights of n-Butyl perchlorocrotonate
The XLogP value of 4.3891 indicates that n-Butyl perchlorocrotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, n-Butyl perchlorocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl perchlorocrotonate 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 n-Butyl perchlorocrotonate?
The CAS number of n-Butyl perchlorocrotonate is 22308-32-3.
What is the molecular formula of n-Butyl perchlorocrotonate?
The molecular formula of n-Butyl perchlorocrotonate is C8H9Cl5O2.
What is the molecular weight of n-Butyl perchlorocrotonate?
The molecular weight of n-Butyl perchlorocrotonate is 311.90 g/mol.
Where can I buy n-Butyl perchlorocrotonate?
You can request a quote for n-Butyl perchlorocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl perchlorocrotonate?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl perchlorocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.