Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate
TL;DR: Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate (CAS 21269-78-3) is a chemical compound with molecular formula C14H23Cl2N2O3P and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]amino]propan-1-ol
Also Known As: NCIOpen2_008931, NCI60_041579, benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate, 3-[[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]amino]propan-1-ol, Phosphordiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, benzyl ester
| Molecular Formula | C14H23Cl2N2O3P |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 368.08234 |
| Heavy Atoms | 22 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 21269-78-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COP(=O)(NCCCO)N(CCCl)CCCl |
| InChIKey | NQZNJXCDRIFPDE-UHFFFAOYSA-N |
Product Overview
Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate (CAS 21269-78-3), with molecular formula C14H23Cl2N2O3P and molecular weight 368.08 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-phenylmethoxyphosphoryl]amino]propan-1-ol.
Chemical Property Profile of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate
Property Insights of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 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 Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate?
The CAS number of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate is 21269-78-3.
What is the molecular formula of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate?
The molecular formula of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate is C14H23Cl2N2O3P.
What is the molecular weight of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate?
The molecular weight of Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate is 368.08 g/mol.
Where can I buy Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate?
You can request a quote for Benzyl 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 Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.