3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester
TL;DR: 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester (CAS 102390-02-3) 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.
(3-anilino-2-hydroxypropyl) (E)-octadec-9-enoate
Also Known As: Mepap 1-oleyl, (3-anilino-2-hydroxypropyl) (E)-octadec-9-enoate, 2-hydroxy-3-(N-phenylamino)propyl oleate, 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester, 9-Octadecenoic acid (Z)-, 2-hydroxy-3-(phenylamino)propyl 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 | 102390-02-3 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC1=CC=CC=C1)O |
Product Overview
3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester (CAS 102390-02-3), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: (3-anilino-2-hydroxypropyl) (E)-octadec-9-enoate.
Chemical Property Profile of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester
Property Insights of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester
The XLogP value of 7.0401 indicates that 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl 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, 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl 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 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester?
The CAS number of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester is 102390-02-3.
What is the molecular formula of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester?
The molecular formula of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester is C27H45NO3.
What is the molecular weight of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester?
The molecular weight of 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester is 431.34 g/mol.
Where can I buy 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester?
You can request a quote for 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Phenylamino)-1,2-propanediol 1-oleoyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.