Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate
TL;DR: Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate (CAS 78218-84-5) is a chemical compound with molecular formula C14H31Cl2N2O3P and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[bis(2-chloroethyl)amino-octoxyphosphoryl]amino]ethanol
Also Known As: B 649, B-649, 2-[[bis(2-chloroethyl)amino-octoxyphosphoryl]amino]ethanol, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)-, octyl ester, Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate
| Molecular Formula | C14H31Cl2N2O3P |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.8331 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 376.14493 |
| Heavy Atoms | 22 |
| Complexity | 293.2615 |
Chemical Identifiers
| CAS Number | 78218-84-5 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(NCCO)N(CCCl)CCCl |
Product Overview
Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate (CAS 78218-84-5), with molecular formula C14H31Cl2N2O3P and molecular weight 376.14 g/mol. IUPAC: 2-[[bis(2-chloroethyl)amino-octoxyphosphoryl]amino]ethanol.
Chemical Property Profile of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate
Property Insights of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate
The XLogP value of 3.8331 indicates that Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate. Following Lipinski's Rule of Five, Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate?
The CAS number of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate is 78218-84-5.
What is the molecular formula of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate?
The molecular formula of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate is C14H31Cl2N2O3P.
What is the molecular weight of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate?
The molecular weight of Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate is 376.14 g/mol.
Where can I buy Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate?
You can request a quote for Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for Octyl N,N-bis(2-chloroethyl)-N'-(2-hydroxyethyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.