Butanoic acid, pentachlorophenyl ester
TL;DR: Butanoic acid, pentachlorophenyl ester (CAS 7476-90-6) is a chemical compound with molecular formula C10H7Cl5O2 and molecular weight 333.88885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,4,5,6-pentachlorophenyl) butanoate
Also Known As: Pentachlorophenyl butyrate, Pentachlorophenyl butanoate, Butyric acid, pentachlorophenyl ester, (2,3,4,5,6-pentachlorophenyl) butanoate, Butanoic acid, pentachlorophenyl ester
Technical Specifications
| Molecular Formula | C10H7Cl5O2 |
| Molecular Weight | 333.88885 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.88593 Da |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
| SMILES | CCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | KCXVYDVAQYFMHH-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, pentachlorophenyl ester
Property Insights of Butanoic acid, pentachlorophenyl ester
The XLogP value of 5.6 indicates that Butanoic 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, Butanoic acid, pentachlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic 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
What is the CAS number of Butanoic acid, pentachlorophenyl ester?
The CAS number of Butanoic acid, pentachlorophenyl ester is 7476-90-6.
What is the molecular formula of Butanoic acid, pentachlorophenyl ester?
The molecular formula of Butanoic acid, pentachlorophenyl ester is C10H7Cl5O2.
What is the molecular weight of Butanoic acid, pentachlorophenyl ester?
The molecular weight of Butanoic acid, pentachlorophenyl ester is 333.88885 g/mol.
Where can I buy Butanoic acid, pentachlorophenyl ester?
You can request a quote for Butanoic acid, pentachlorophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, pentachlorophenyl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, pentachlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.