Hexadecyl 3,4,4-trichlorobut-3-enoate
TL;DR: Hexadecyl 3,4,4-trichlorobut-3-enoate (CAS 632299-93-5) is a chemical compound with molecular formula C20H35Cl3O2 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 3,4,4-trichlorobut-3-enoate
Also Known As: hexadecyl 3,4,4-trichlorobut-3-enoate, HEXADECYL 3,4,4-TRICHLORO-3-BUTENOATE, 3-Butenoic acid,3,4,4-trichloro-,hexadecyl ester, A3194/0135362, 3-Butenoic acid, 3,4,4-trichloro-, hexadecyl ester
| Molecular Formula | C20H35Cl3O2 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 8.2865 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 412.17026 |
| Heavy Atoms | 25 |
| Complexity | 352.85043 |
Chemical Identifiers
| CAS Number | 632299-93-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CC(=C(Cl)Cl)Cl |
Product Overview
Hexadecyl 3,4,4-trichlorobut-3-enoate (CAS 632299-93-5), with molecular formula C20H35Cl3O2 and molecular weight 412.17 g/mol. IUPAC: hexadecyl 3,4,4-trichlorobut-3-enoate.
Chemical Property Profile of Hexadecyl 3,4,4-trichlorobut-3-enoate
Property Insights of Hexadecyl 3,4,4-trichlorobut-3-enoate
The XLogP value of 8.2865 indicates that Hexadecyl 3,4,4-trichlorobut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexadecyl 3,4,4-trichlorobut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 3,4,4-trichlorobut-3-enoate 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 Hexadecyl 3,4,4-trichlorobut-3-enoate?
The CAS number of Hexadecyl 3,4,4-trichlorobut-3-enoate is 632299-93-5.
What is the molecular formula of Hexadecyl 3,4,4-trichlorobut-3-enoate?
The molecular formula of Hexadecyl 3,4,4-trichlorobut-3-enoate is C20H35Cl3O2.
What is the molecular weight of Hexadecyl 3,4,4-trichlorobut-3-enoate?
The molecular weight of Hexadecyl 3,4,4-trichlorobut-3-enoate is 412.17 g/mol.
Where can I buy Hexadecyl 3,4,4-trichlorobut-3-enoate?
You can request a quote for Hexadecyl 3,4,4-trichlorobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 3,4,4-trichlorobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 3,4,4-trichlorobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.