Heptadecyl 3,4,4-trichlorobut-3-enoate
TL;DR: Heptadecyl 3,4,4-trichlorobut-3-enoate (CAS 654646-27-2) is a chemical compound with molecular formula C21H37Cl3O2 and molecular weight 426.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecyl 3,4,4-trichlorobut-3-enoate
Also Known As: heptadecyl 3,4,4-trichlorobut-3-enoate, 3-Butenoic acid, 3,4,4-trichloro-, heptadecyl ester, HEPTADECYL 3,4,4-TRICHLORO-3-BUTENOATE, 3-Butenoic acid,3,4,4-trichloro-,heptadecyl ester, A3482/0147727
| Molecular Formula | C21H37Cl3O2 |
|---|---|
| Molecular Weight | 426.19 g/mol |
| LogP | 8.6766 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 426.1859 |
| Heavy Atoms | 26 |
| Complexity | 366.2677 |
Chemical Identifiers
| CAS Number | 654646-27-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOC(=O)CC(=C(Cl)Cl)Cl |
Product Overview
Heptadecyl 3,4,4-trichlorobut-3-enoate (CAS 654646-27-2), with molecular formula C21H37Cl3O2 and molecular weight 426.19 g/mol. IUPAC: heptadecyl 3,4,4-trichlorobut-3-enoate.
Chemical Property Profile of Heptadecyl 3,4,4-trichlorobut-3-enoate
Property Insights of Heptadecyl 3,4,4-trichlorobut-3-enoate
The XLogP value of 8.6766 indicates that Heptadecyl 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, Heptadecyl 3,4,4-trichlorobut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptadecyl 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 Heptadecyl 3,4,4-trichlorobut-3-enoate?
The CAS number of Heptadecyl 3,4,4-trichlorobut-3-enoate is 654646-27-2.
What is the molecular formula of Heptadecyl 3,4,4-trichlorobut-3-enoate?
The molecular formula of Heptadecyl 3,4,4-trichlorobut-3-enoate is C21H37Cl3O2.
What is the molecular weight of Heptadecyl 3,4,4-trichlorobut-3-enoate?
The molecular weight of Heptadecyl 3,4,4-trichlorobut-3-enoate is 426.19 g/mol.
Where can I buy Heptadecyl 3,4,4-trichlorobut-3-enoate?
You can request a quote for Heptadecyl 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 Heptadecyl 3,4,4-trichlorobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Heptadecyl 3,4,4-trichlorobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.