B 864
TL;DR: B 864 (CAS 78218-92-5) is a chemical compound with molecular formula C17H25Cl4N2O4P and molecular weight 492.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl 2-chloro-2-phenylacetate
Also Known As: B 864, B-864, 2-Chloroethyl-N,N-bis(2-chloroethyl)-N'-(3-(chlorophenylacetoxy)propyl)phosphorodiamidate, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, 2-chloro-2-phenylacetate, 3-({[Bis(2-chloroethyl)amino](2-chloroethoxy)phosphoryl}amino)propyl chloro(phenyl)acetate
| Molecular Formula | C17H25Cl4N2O4P |
|---|---|
| Molecular Weight | 492.03 g/mol |
| LogP | 4.6325 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 492.0306 |
| Heavy Atoms | 28 |
| Complexity | 606.08 |
Chemical Identifiers
| CAS Number | 78218-92-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl)Cl |
Product Overview
B 864 (CAS 78218-92-5), with molecular formula C17H25Cl4N2O4P and molecular weight 492.03 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl 2-chloro-2-phenylacetate.
Chemical Property Profile of B 864
Property Insights of B 864
The XLogP value of 4.6325 indicates that B 864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for B 864. Following Lipinski's Rule of Five, B 864 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 B 864?
The CAS number of B 864 is 78218-92-5.
What is the molecular formula of B 864?
The molecular formula of B 864 is C17H25Cl4N2O4P.
What is the molecular weight of B 864?
The molecular weight of B 864 is 492.03 g/mol.
Where can I buy B 864?
You can request a quote for B 864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 864?
Yes, KEHONG BIO provides custom synthesis services for B 864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.