Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester
TL;DR: Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester (CAS 18228-85-8) is a chemical compound with molecular formula C13H21Cl2N2O2P and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[ethylamino(phenylmethoxy)phosphoryl]ethanamine
Also Known As: benzyl n,n-bis(2-chloroethyl)-n'-ethylphosphorodiamidate, Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester, 2-chloro-N-(2-chloroethyl)-N-[ethylamino(phenylmethoxy)phosphoryl]ethanamine
| Molecular Formula | C13H21Cl2N2O2P |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.07178 |
| Heavy Atoms | 20 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 18228-85-8 |
|---|---|
| SMILES | CCNP(=O)(N(CCCl)CCCl)OCC1=CC=CC=C1 |
| InChIKey | MZOPJSCRDLXQOS-UHFFFAOYSA-N |
Product Overview
Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester (CAS 18228-85-8), with molecular formula C13H21Cl2N2O2P and molecular weight 338.07 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[ethylamino(phenylmethoxy)phosphoryl]ethanamine.
Chemical Property Profile of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester
Property Insights of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester has 1 hydrogen bond donor(s) and 4 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 Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester?
The CAS number of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester is 18228-85-8.
What is the molecular formula of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester?
The molecular formula of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester is C13H21Cl2N2O2P.
What is the molecular weight of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester?
The molecular weight of Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester is 338.07 g/mol.
Where can I buy Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester?
You can request a quote for Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.