Butanedioic acid, dodecenyl-, monomethyl ester
TL;DR: Butanedioic acid, dodecenyl-, monomethyl ester (CAS 64129-91-5) is a chemical compound with molecular formula C17H30O4 and molecular weight 298.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxycarbonylpentadec-10-enoic acid
Also Known As: 3-(Methoxycarbonyl)pentadec-10-enoic acid, Butanedioic acid, dodecenyl-, monomethyl ester, Butanedioic acid, 2-(dodecen-1-yl)-, monomethyl ester, RefChem:571073
| Molecular Formula | C17H30O4 |
|---|---|
| Molecular Weight | 298.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 298.21442 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 64129-91-5 |
|---|---|
| SMILES | CCCCC=CCCCCCCC(CC(=O)O)C(=O)OC |
| InChIKey | VSPIKCBVTKGIEO-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, dodecenyl-, monomethyl ester (CAS 64129-91-5), with molecular formula C17H30O4 and molecular weight 298.21 g/mol. IUPAC: 3-methoxycarbonylpentadec-10-enoic acid.
Chemical Property Profile of Butanedioic acid, dodecenyl-, monomethyl ester
Property Insights of Butanedioic acid, dodecenyl-, monomethyl ester
The XLogP value of 5.0 indicates that Butanedioic acid, dodecenyl-, monomethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, dodecenyl-, monomethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, dodecenyl-, monomethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, dodecenyl-, monomethyl ester?
The CAS number of Butanedioic acid, dodecenyl-, monomethyl ester is 64129-91-5.
What is the molecular formula of Butanedioic acid, dodecenyl-, monomethyl ester?
The molecular formula of Butanedioic acid, dodecenyl-, monomethyl ester is C17H30O4.
What is the molecular weight of Butanedioic acid, dodecenyl-, monomethyl ester?
The molecular weight of Butanedioic acid, dodecenyl-, monomethyl ester is 298.21 g/mol.
Where can I buy Butanedioic acid, dodecenyl-, monomethyl ester?
You can request a quote for Butanedioic acid, dodecenyl-, monomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, dodecenyl-, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, dodecenyl-, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.