N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride
TL;DR: N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride (CAS 53382-89-1) is a chemical compound with molecular formula C11H16Cl3N2OP and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline
Also Known As: 9,10-Anthracenedione,1-amino-4-benzoyl, N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline, N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride, Phosphorodiamidic chloride,N-bis(2-chloroethyl)-N'-(4-methylphenyl)-, Phosphorodiamidicchloride, N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)- (9CI)
| Molecular Formula | C11H16Cl3N2OP |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.0066 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 53382-89-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)Cl |
| InChIKey | FCNALKWCVZMGMW-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride (CAS 53382-89-1), with molecular formula C11H16Cl3N2OP and molecular weight 328.01 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride
Property Insights of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride
The XLogP value of 3.8 indicates that N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride has 1 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 N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride?
The CAS number of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride is 53382-89-1.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride?
The molecular formula of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride is C11H16Cl3N2OP.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride?
The molecular weight of N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride is 328.01 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride?
You can request a quote for N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidic chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.