Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol
TL;DR: Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol (CAS 71839-41-3) is a chemical compound with molecular formula C21H44N2O3 and molecular weight 372.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-diamino-3-hydroxypropyl) 16-methylheptadecanoate
Also Known As: Isostearic acid, tris(hydroxymethyl)methylamine ester, Isostearic acid tris(hydroxymethyl)methylamine ester, (2,2-diamino-3-hydroxypropyl) 16-methylheptadecanoate, Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol, RefChem:149643
| Molecular Formula | C21H44N2O3 |
|---|---|
| Molecular Weight | 372.34 g/mol |
| LogP | 4.253 |
| Topological Polar Surface Area | 98.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 372.3352 |
| Heavy Atoms | 26 |
| Complexity | 333.21786 |
Chemical Identifiers
| CAS Number | 71839-41-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)(N)N |
Product Overview
Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol (CAS 71839-41-3), with molecular formula C21H44N2O3 and molecular weight 372.34 g/mol. IUPAC: (2,2-diamino-3-hydroxypropyl) 16-methylheptadecanoate.
Chemical Property Profile of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol
Property Insights of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol
The XLogP value of 4.253 indicates that Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol. Following Lipinski's Rule of Five, Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol has 3 hydrogen bond donor(s) and 5 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 Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol?
The CAS number of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol is 71839-41-3.
What is the molecular formula of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol?
The molecular formula of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol is C21H44N2O3.
What is the molecular weight of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol?
The molecular weight of Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol is 372.34 g/mol.
Where can I buy Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol?
You can request a quote for Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-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, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Isooctadecanoic acid, ester with 2-amino-2-(hydroxymethyl)-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.