Methyl 3-methylheptadecanoate
TL;DR: Methyl 3-methylheptadecanoate (CAS 54934-56-4) is a chemical compound with molecular formula C19H38O2 and molecular weight 298.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylheptadecanoate
Also Known As: Methyl 3-methylheptadecanoate, Methyl-3-methylheptadecanoat, 3-Methylheptadecanoic acid methyl ester, Heptadecanoic acid, 3-methyl-, methyl ester, 3-Methylheptadecanoicacidmethylester
| Molecular Formula | C19H38O2 |
|---|---|
| Molecular Weight | 298.29 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 298.28717 |
| Heavy Atoms | 21 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 54934-56-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C)CC(=O)OC |
| InChIKey | PJSCLYQYZMWJFQ-UHFFFAOYSA-N |
Product Overview
Methyl 3-methylheptadecanoate (CAS 54934-56-4), with molecular formula C19H38O2 and molecular weight 298.29 g/mol. IUPAC: methyl 3-methylheptadecanoate.
Chemical Property Profile of Methyl 3-methylheptadecanoate
Property Insights of Methyl 3-methylheptadecanoate
The XLogP value of 8.4 indicates that Methyl 3-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methylheptadecanoate 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 Methyl 3-methylheptadecanoate?
The CAS number of Methyl 3-methylheptadecanoate is 54934-56-4.
What is the molecular formula of Methyl 3-methylheptadecanoate?
The molecular formula of Methyl 3-methylheptadecanoate is C19H38O2.
What is the molecular weight of Methyl 3-methylheptadecanoate?
The molecular weight of Methyl 3-methylheptadecanoate is 298.29 g/mol.
Where can I buy Methyl 3-methylheptadecanoate?
You can request a quote for Methyl 3-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.