N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide
TL;DR: N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide (CAS 1950-03-4) is a chemical compound with molecular formula C16H20Cl2N3OP and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline
Also Known As: AT 585, N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide, [bis(phenylamino)phosphoryl]bis(2-chloroethyl)amine, N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline, N,N -Diphenyl-N ,N -bis(2-chloroethyl)phosphoric triamide
| Molecular Formula | C16H20Cl2N3OP |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.0721 |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 1950-03-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)N(CCCl)CCCl |
| InChIKey | UUPZSTVCZKQYSO-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide (CAS 1950-03-4), with molecular formula C16H20Cl2N3OP and molecular weight 371.07 g/mol. IUPAC: N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide
Property Insights of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide
The XLogP value of 4.5 indicates that N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide has 2 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 N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide?
The CAS number of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide is 1950-03-4.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide?
The molecular formula of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide is C16H20Cl2N3OP.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide?
The molecular weight of N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide is 371.07 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide?
You can request a quote for N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide 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',N''-diphenylphosphoric triamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N',N''-diphenylphosphoric triamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.