9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester
TL;DR: 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester (CAS 102390-01-2) is a chemical compound with molecular formula C27H45NO3 and molecular weight 431.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-anilino-3-hydroxypropan-2-yl) (Z)-octadec-9-enoate
Also Known As: (1-anilino-3-hydroxypropan-2-yl) (Z)-octadec-9-enoate, (1-anilino-3-hydroxy-propan-2-yl) (Z)-octadec-9-enoate, 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester
| Molecular Formula | C27H45NO3 |
|---|---|
| Molecular Weight | 431.34 g/mol |
| LogP | 7.0401 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 431.33994 |
| Heavy Atoms | 31 |
| Complexity | 558.8598 |
Chemical Identifiers
| CAS Number | 102390-01-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CNC1=CC=CC=C1)CO |
Product Overview
9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester (CAS 102390-01-2), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: (1-anilino-3-hydroxypropan-2-yl) (Z)-octadec-9-enoate.
Chemical Property Profile of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester
Property Insights of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester
The XLogP value of 7.0401 indicates that 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester has 2 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 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester?
The CAS number of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester is 102390-01-2.
What is the molecular formula of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester?
The molecular formula of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester is C27H45NO3.
What is the molecular weight of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester?
The molecular weight of 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester is 431.34 g/mol.
Where can I buy 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester?
You can request a quote for 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-(phenylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.