2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester
TL;DR: 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester (CAS 56554-65-5) is a chemical compound with molecular formula C26H42O3 and molecular weight 402.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-heptadec-12-enyl-6-methoxybenzoate
Also Known As: 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester
| Molecular Formula | C26H42O3 |
|---|---|
| Molecular Weight | 402.31 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 402.3134 |
| Heavy Atoms | 29 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 56554-65-5 |
|---|---|
| SMILES | CCCCC=CCCCCCCCCCCCC1=C(C(=CC=C1)OC)C(=O)OC |
| InChIKey | HYCMJIMJXSOFPH-UHFFFAOYSA-N |
Product Overview
2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester (CAS 56554-65-5), with molecular formula C26H42O3 and molecular weight 402.31 g/mol. IUPAC: methyl 2-heptadec-12-enyl-6-methoxybenzoate.
Chemical Property Profile of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester
Property Insights of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester
The XLogP value of 9.7 indicates that 2-(12-Heptadecenyl)-6-methoxybenzoic acid 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, 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(12-Heptadecenyl)-6-methoxybenzoic acid 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 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester?
The CAS number of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester is 56554-65-5.
What is the molecular formula of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester?
The molecular formula of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester is C26H42O3.
What is the molecular weight of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester?
The molecular weight of 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester is 402.31 g/mol.
Where can I buy 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester?
You can request a quote for 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(12-Heptadecenyl)-6-methoxybenzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.