Isooctadecanoic acid, monoester with 1,2-propanediol
TL;DR: Isooctadecanoic acid, monoester with 1,2-propanediol (CAS 68171-38-0) is a chemical compound with molecular formula C21H42O3 and molecular weight 342.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropyl 16-methylheptadecanoate
Also Known As: Propylene glycol monoisostearate, Propylene glycol isostearate, 2-hydroxypropyl 16-methylheptadecanoate, Prisorine 2034, Propylene Glycol lsostearate
| Molecular Formula | C21H42O3 |
|---|---|
| Molecular Weight | 342.31 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 342.3134 |
| Heavy Atoms | 24 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 68171-38-0 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O |
| InChIKey | BJRXGOFKVBOFCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctadecanoic acid, monoester with 1,2-propanediol (CAS 68171-38-0), with molecular formula C21H42O3 and molecular weight 342.31 g/mol. IUPAC: 2-hydroxypropyl 16-methylheptadecanoate.
Chemical Property Profile of Isooctadecanoic acid, monoester with 1,2-propanediol
Property Insights of Isooctadecanoic acid, monoester with 1,2-propanediol
The XLogP value of 8.0 indicates that Isooctadecanoic acid, monoester with 1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Isooctadecanoic acid, monoester with 1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctadecanoic acid, monoester with 1,2-propanediol has 1 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 Isooctadecanoic acid, monoester with 1,2-propanediol?
The CAS number of Isooctadecanoic acid, monoester with 1,2-propanediol is 68171-38-0.
What is the molecular formula of Isooctadecanoic acid, monoester with 1,2-propanediol?
The molecular formula of Isooctadecanoic acid, monoester with 1,2-propanediol is C21H42O3.
What is the molecular weight of Isooctadecanoic acid, monoester with 1,2-propanediol?
The molecular weight of Isooctadecanoic acid, monoester with 1,2-propanediol is 342.31 g/mol.
Where can I buy Isooctadecanoic acid, monoester with 1,2-propanediol?
You can request a quote for Isooctadecanoic acid, monoester with 1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctadecanoic acid, monoester with 1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Isooctadecanoic acid, monoester with 1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.