B 861
TL;DR: B 861 (CAS 78218-89-0) is a chemical compound with molecular formula C11H22Cl3N2O4P and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl acetate
Also Known As: B 861, B-861, (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-acetoxypropyl)phosphorodiamidate, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, acetate, 3-({[Bis(2-chloroethyl)amino](2-chloroethoxy)phosphoryl}amino)propyl acetate
| Molecular Formula | C11H22Cl3N2O4P |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 2.6723 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.03827 |
| Heavy Atoms | 21 |
| Complexity | 330.5902 |
Chemical Identifiers
| CAS Number | 78218-89-0 |
|---|---|
| SMILES | CC(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl |
Product Overview
B 861 (CAS 78218-89-0), with molecular formula C11H22Cl3N2O4P and molecular weight 382.04 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl acetate.
Chemical Property Profile of B 861
Property Insights of B 861
The XLogP value of 2.6723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B 861. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for B 861. Following Lipinski's Rule of Five, B 861 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 861?
The CAS number of B 861 is 78218-89-0.
What is the molecular formula of B 861?
The molecular formula of B 861 is C11H22Cl3N2O4P.
What is the molecular weight of B 861?
The molecular weight of B 861 is 382.04 g/mol.
Where can I buy B 861?
You can request a quote for B 861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 861?
Yes, KEHONG BIO provides custom synthesis services for B 861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.