Methyl N,N-bis(2-chloroethyl)phosphorodiamidate
TL;DR: Methyl N,N-bis(2-chloroethyl)phosphorodiamidate (CAS 57154-91-3) is a chemical compound with molecular formula C5H13Cl2N2O2P and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[amino(methoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: Methyl N,N-bis(2-chloroethyl)phosphorodiamidate, [amino(methoxy)phosphoryl]bis(2-chloroethyl)amine, O-methyl-N,N-bis(2-chloroethyl)phosphorodiamidate, N,N-Bis(2-chloroethyl)diamidophosphoric acid O-methyl ester, N-[amino(methoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethan
| Molecular Formula | C5H13Cl2N2O2P |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.00917 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 57154-91-3 |
|---|---|
| SMILES | COP(=O)(N)N(CCCl)CCCl |
| InChIKey | FGDGDBAGQBMSDU-UHFFFAOYSA-N |
Product Overview
Methyl N,N-bis(2-chloroethyl)phosphorodiamidate (CAS 57154-91-3), with molecular formula C5H13Cl2N2O2P and molecular weight 234.01 g/mol. IUPAC: N-[amino(methoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate
Property Insights of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N,N-bis(2-chloroethyl)phosphorodiamidate. With a topological polar surface area (TPSA) of 55.6 Ų, Methyl N,N-bis(2-chloroethyl)phosphorodiamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N,N-bis(2-chloroethyl)phosphorodiamidate 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 Methyl N,N-bis(2-chloroethyl)phosphorodiamidate?
The CAS number of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate is 57154-91-3.
What is the molecular formula of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate?
The molecular formula of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate is C5H13Cl2N2O2P.
What is the molecular weight of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate?
The molecular weight of Methyl N,N-bis(2-chloroethyl)phosphorodiamidate is 234.01 g/mol.
Where can I buy Methyl N,N-bis(2-chloroethyl)phosphorodiamidate?
You can request a quote for Methyl N,N-bis(2-chloroethyl)phosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N,N-bis(2-chloroethyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N,N-bis(2-chloroethyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.