Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate
TL;DR: Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate (CAS 78218-93-6) is a chemical compound with molecular formula C9H21Cl2N2O3P and molecular weight 306.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]propan-1-ol
Also Known As: Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, ethyl ester, 3-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]propan-1-ol, ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate, 3-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]-1-propanol, 3-({[bis(2-chloroethyl)amino](ethoxy)phosphoryl}amino)propan-1-ol
| Molecular Formula | C9H21Cl2N2O3P |
|---|---|
| Molecular Weight | 306.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.06668 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 78218-93-6 |
|---|---|
| SMILES | CCOP(=O)(NCCCO)N(CCCl)CCCl |
| InChIKey | OFLBAFVWBCVANZ-UHFFFAOYSA-N |
Product Overview
Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate (CAS 78218-93-6), with molecular formula C9H21Cl2N2O3P and molecular weight 306.07 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]propan-1-ol.
Chemical Property Profile of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate
Property Insights of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate. Following Lipinski's Rule of Five, Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate has 2 hydrogen bond donor(s) and 5 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 Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate?
The CAS number of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate is 78218-93-6.
What is the molecular formula of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate?
The molecular formula of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate is C9H21Cl2N2O3P.
What is the molecular weight of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate?
The molecular weight of Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate is 306.07 g/mol.
Where can I buy Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate?
You can request a quote for Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.