B 870
TL;DR: B 870 (CAS 78218-90-3) is a chemical compound with molecular formula C16H24Cl3N2O4P and molecular weight 444.05 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 benzoate
Also Known As: B 870, B-870, (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-benzoxypropyl)phosphorodiamidate, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, benzoate, 3-({[Bis(2-chloroethyl)amino](2-chloroethoxy)phosphoryl}amino)propyl benzoate
| Molecular Formula | C16H24Cl3N2O4P |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 3.9662 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 444.05392 |
| Heavy Atoms | 26 |
| Complexity | 559.68567 |
Chemical Identifiers
| CAS Number | 78218-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl |
Product Overview
B 870 (CAS 78218-90-3), with molecular formula C16H24Cl3N2O4P and molecular weight 444.05 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl benzoate.
Chemical Property Profile of B 870
Property Insights of B 870
The XLogP value of 3.9662 indicates that B 870 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 870. Following Lipinski's Rule of Five, B 870 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 870?
The CAS number of B 870 is 78218-90-3.
What is the molecular formula of B 870?
The molecular formula of B 870 is C16H24Cl3N2O4P.
What is the molecular weight of B 870?
The molecular weight of B 870 is 444.05 g/mol.
Where can I buy B 870?
You can request a quote for B 870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 870?
Yes, KEHONG BIO provides custom synthesis services for B 870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.