![1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine structure](/static/products/2757/27578-75-2.webp)
1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
TL;DR: 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine (CAS 27578-75-2) is a chemical compound with molecular formula C20H30Cl2N5OP and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
Also Known As: 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine, N,N-Bis(2-chloroethyl)-N',N''-bis[4-(dimethylamino)phenyl]phosphoric triamide
| Molecular Formula | C20H30Cl2N5OP |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.1565 |
| Heavy Atoms | 29 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 27578-75-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)N(C)C)N(CCCl)CCCl |
| InChIKey | OSMMJSUOYLUACI-UHFFFAOYSA-N |
Product Overview
1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine (CAS 27578-75-2), with molecular formula C20H30Cl2N5OP and molecular weight 457.16 g/mol. IUPAC: 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
Property Insights of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
The XLogP value of 4.8 indicates that 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine has 2 hydrogen bond donor(s) and 6 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 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The CAS number of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine is 27578-75-2.
What is the molecular formula of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The molecular formula of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine is C20H30Cl2N5OP.
What is the molecular weight of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The molecular weight of 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine is 457.16 g/mol.
Where can I buy 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine?
You can request a quote for 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.