3-Phenylamino-1,2-propanediol monooleate
TL;DR: 3-Phenylamino-1,2-propanediol monooleate (CAS 95357-96-3) 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) (Z)-octadec-9-enoate
Also Known As: 3-Phenylamino-1,2-propanediol monooleate, 3-(Phenylamino)-1,2-propanediol 1-oleate, Oleic acid 2-hydroxy 3-anilinopropyl ester, Oleic acid 2-hydroxy-3-anilinopropyl ester, Oleic acid 3-anilino-2-hydroxypropyl 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 | 95357-96-3 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CNC1=CC=CC=C1)O |
Product Overview
3-Phenylamino-1,2-propanediol monooleate (CAS 95357-96-3), with molecular formula C27H45NO3 and molecular weight 431.34 g/mol. IUPAC: (3-anilino-2-hydroxypropyl) (Z)-octadec-9-enoate.
Chemical Property Profile of 3-Phenylamino-1,2-propanediol monooleate
Property Insights of 3-Phenylamino-1,2-propanediol monooleate
The XLogP value of 7.0401 indicates that 3-Phenylamino-1,2-propanediol monooleate 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-Phenylamino-1,2-propanediol monooleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylamino-1,2-propanediol monooleate 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-Phenylamino-1,2-propanediol monooleate?
The CAS number of 3-Phenylamino-1,2-propanediol monooleate is 95357-96-3.
What is the molecular formula of 3-Phenylamino-1,2-propanediol monooleate?
The molecular formula of 3-Phenylamino-1,2-propanediol monooleate is C27H45NO3.
What is the molecular weight of 3-Phenylamino-1,2-propanediol monooleate?
The molecular weight of 3-Phenylamino-1,2-propanediol monooleate is 431.34 g/mol.
Where can I buy 3-Phenylamino-1,2-propanediol monooleate?
You can request a quote for 3-Phenylamino-1,2-propanediol monooleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylamino-1,2-propanediol monooleate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylamino-1,2-propanediol monooleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.