12-Doxylstearate methyl ester
TL;DR: 12-Doxylstearate methyl ester (CAS 34948-67-9) is a chemical compound with molecular formula C23H44NO4 and molecular weight 398.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Methyl 12-doxylstearate, 12-Doxylstearate methyl ester, KST-1A4075, methyl 11-(2-hexan-2-yl-3-, Methyl 12-doxyl-stearate free radical
| Molecular Formula | C23H44NO4 |
|---|---|
| Molecular Weight | 398.33 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 39.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 398.32703 |
| Heavy Atoms | 28 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 34948-67-9 |
|---|---|
| SMILES | CCCCC(C)C1(N(C(CO1)(C)C)[O])CCCCCCCCCCC(=O)OC |
| InChIKey | NSXKMYQRBHXAHX-UHFFFAOYSA-N |
Product Overview
12-Doxylstearate methyl ester (CAS 34948-67-9), with molecular formula C23H44NO4 and molecular weight 398.33 g/mol.
Chemical Property Profile of 12-Doxylstearate methyl ester
Property Insights of 12-Doxylstearate methyl ester
The XLogP value of 6.9 indicates that 12-Doxylstearate methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.8 Ų, 12-Doxylstearate methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Doxylstearate methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Doxylstearate methyl ester?
The CAS number of 12-Doxylstearate methyl ester is 34948-67-9.
What is the molecular formula of 12-Doxylstearate methyl ester?
The molecular formula of 12-Doxylstearate methyl ester is C23H44NO4.
What is the molecular weight of 12-Doxylstearate methyl ester?
The molecular weight of 12-Doxylstearate methyl ester is 398.33 g/mol.
Where can I buy 12-Doxylstearate methyl ester?
You can request a quote for 12-Doxylstearate methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Doxylstearate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 12-Doxylstearate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.