N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide
TL;DR: N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide (CAS 78218-76-5) is a chemical compound with molecular formula C9H21Cl3N3O2P and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]amino]propan-1-ol
Also Known As: N-(3-Hydroxypropyl)-N',N',N''-tris(2-chloroethyl)phosphoric triamide, N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide, Phosphoric triamide, N-(3-hydroxypropyl)-N',N',N''-tris(2-chloroethyl)-N''-(2-chloroethyl)-, Phosphoric triamide, N,N,N'-tris(2-chloroethyl)-N''-(3-hydroxypropyl)-, 3-[[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]amino]propan-1-ol
| Molecular Formula | C9H21Cl3N3O2P |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 1.6745 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 339.0437 |
| Heavy Atoms | 18 |
| Complexity | 243.09775 |
Chemical Identifiers
| CAS Number | 78218-76-5 |
|---|---|
| SMILES | C(CNP(=O)(NCCCl)N(CCCl)CCCl)CO |
Product Overview
N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide (CAS 78218-76-5), with molecular formula C9H21Cl3N3O2P and molecular weight 339.04 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]amino]propan-1-ol.
Chemical Property Profile of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide
Property Insights of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide
The XLogP value of 1.6745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide. Following Lipinski's Rule of Five, N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide has 3 hydrogen bond donor(s) and 2 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,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide?
The CAS number of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide is 78218-76-5.
What is the molecular formula of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide?
The molecular formula of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide is C9H21Cl3N3O2P.
What is the molecular weight of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide?
The molecular weight of N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide is 339.04 g/mol.
Where can I buy N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide?
You can request a quote for N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric 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,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N'-Tris(2-chloroethyl)-N''-(3-hydroxypropyl)phosphoric triamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.