4-Hexadecynoic acid, 2-phenoxy-, methyl ester
TL;DR: 4-Hexadecynoic acid, 2-phenoxy-, methyl ester (CAS 40924-22-9) is a chemical compound with molecular formula C23H34O3 and molecular weight 358.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenoxyhexadec-4-ynoate
Also Known As: methyl 2-phenoxyhexadec-4-ynoate, Methyl 2-phenoxy-4-hexadecynoate, 2-Phenoxy-4-hexadecynoicacidmethylester, Methyl 2-phenoxy-4-hexadecynoate #, 4-Hexadecynoic acid, 2-phenoxy-, methyl ester
| Molecular Formula | C23H34O3 |
|---|---|
| Molecular Weight | 358.25 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 358.2508 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 40924-22-9 |
|---|---|
| SMILES | CCCCCCCCCCCC#CCC(C(=O)OC)OC1=CC=CC=C1 |
| InChIKey | ACRNSKUGJYVJKI-UHFFFAOYSA-N |
Product Overview
4-Hexadecynoic acid, 2-phenoxy-, methyl ester (CAS 40924-22-9), with molecular formula C23H34O3 and molecular weight 358.25 g/mol. IUPAC: methyl 2-phenoxyhexadec-4-ynoate.
Chemical Property Profile of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester
Property Insights of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester
The XLogP value of 8.2 indicates that 4-Hexadecynoic acid, 2-phenoxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Hexadecynoic acid, 2-phenoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexadecynoic acid, 2-phenoxy-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester?
The CAS number of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester is 40924-22-9.
What is the molecular formula of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester?
The molecular formula of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester is C23H34O3.
What is the molecular weight of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester?
The molecular weight of 4-Hexadecynoic acid, 2-phenoxy-, methyl ester is 358.25 g/mol.
Where can I buy 4-Hexadecynoic acid, 2-phenoxy-, methyl ester?
You can request a quote for 4-Hexadecynoic acid, 2-phenoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexadecynoic acid, 2-phenoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexadecynoic acid, 2-phenoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.