3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester
TL;DR: 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester (CAS 95416-26-5) is a chemical compound with molecular formula C45H77NO4 and molecular weight 695.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-anilino-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Also Known As: Depap 1,2-dioleyl, 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester, SID:56459343, [3-anilino-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate, 9-Octadecenoic acid (Z)-, 1-((phenylamino)methyl)-1,2-ethanediyl ester
| Molecular Formula | C45H77NO4 |
|---|---|
| Molecular Weight | 695.59 g/mol |
| LogP | 13.6285 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 695.58527 |
| Heavy Atoms | 50 |
| Complexity | 943.67596 |
Chemical Identifiers
| CAS Number | 95416-26-5 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC1=CC=CC=C1)OC(=O)CCCCCCC/C=C/CCCCCCCC |
Product Overview
3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester (CAS 95416-26-5), with molecular formula C45H77NO4 and molecular weight 695.59 g/mol. IUPAC: [3-anilino-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate.
Chemical Property Profile of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester
Property Insights of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester
The XLogP value of 13.6285 indicates that 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester. Following Lipinski's Rule of Five, 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester has 1 hydrogen bond donor(s) and 5 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 1,2-dioleoyl ester?
The CAS number of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester is 95416-26-5.
What is the molecular formula of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester?
The molecular formula of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester is C45H77NO4.
What is the molecular weight of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester?
The molecular weight of 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester is 695.59 g/mol.
Where can I buy 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester?
You can request a quote for 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl 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 1,2-dioleoyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Phenylamino)-1,2-propanediol 1,2-dioleoyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.