Einecs 261-402-1
TL;DR: Einecs 261-402-1 (CAS 58715-13-2) is a chemical compound with molecular formula C41H79N2O6P and molecular weight 726.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl hydrogen phosphate;1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione
Also Known As: EINECS 261-402-1, Dioctyl hydrogen phosphate, compound with (Z)-1-(3-(octadec-9-enylamino)propyl)-1H-pyrrole-2,5-dione (1:1), dioctyl hydrogen phosphate; 1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione, Dioctyl hydrogen phosphate, compound with (Z)-1-[3-(octadec-9-enylamino)propyl]-1H-pyrrole-2,5-dione (1:1)
| Molecular Formula | C41H79N2O6P |
|---|---|
| Molecular Weight | 726.57 g/mol |
| LogP | 11.7696 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Exact Mass | 726.56757 |
| Heavy Atoms | 50 |
| Complexity | 841.12305 |
Chemical Identifiers
| CAS Number | 58715-13-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCCNCCCN1C(=O)C=CC1=O.CCCCCCCCOP(=O)(O)OCCCCCCCC |
Product Overview
Einecs 261-402-1 (CAS 58715-13-2), with molecular formula C41H79N2O6P and molecular weight 726.57 g/mol. IUPAC: dioctyl hydrogen phosphate;1-[3-[[(Z)-octadec-9-enyl]amino]propyl]pyrrole-2,5-dione.
Chemical Property Profile of Einecs 261-402-1
Property Insights of Einecs 261-402-1
The XLogP value of 11.7696 indicates that Einecs 261-402-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 261-402-1. Following Lipinski's Rule of Five, Einecs 261-402-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 261-402-1?
The CAS number of Einecs 261-402-1 is 58715-13-2.
What is the molecular formula of Einecs 261-402-1?
The molecular formula of Einecs 261-402-1 is C41H79N2O6P.
What is the molecular weight of Einecs 261-402-1?
The molecular weight of Einecs 261-402-1 is 726.57 g/mol.
Where can I buy Einecs 261-402-1?
You can request a quote for Einecs 261-402-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-402-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-402-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.