B 865
TL;DR: B 865 (CAS 78218-91-4) is a chemical compound with molecular formula C13H25BrCl3N2O4P and molecular weight 487.98 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 4-bromobutanoate
Also Known As: B 865, B-865, (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-(4-bromobutyryloxy)propyl)phosphorodiamidate, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, 4-bromobutyrate, 3-({[Bis(2-chloroethyl)amino](2-chloroethoxy)phosphoryl}amino)propyl 4-bromobutanoate
| Molecular Formula | C13H25BrCl3N2O4P |
|---|---|
| Molecular Weight | 487.98 g/mol |
| LogP | 3.8275 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 487.9801 |
| Heavy Atoms | 24 |
| Complexity | 377.12598 |
Chemical Identifiers
| CAS Number | 78218-91-4 |
|---|---|
| SMILES | C(CC(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl)CBr |
Product Overview
B 865 (CAS 78218-91-4), with molecular formula C13H25BrCl3N2O4P and molecular weight 487.98 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl 4-bromobutanoate.
Chemical Property Profile of B 865
Property Insights of B 865
The XLogP value of 3.8275 indicates that B 865 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 865. Following Lipinski's Rule of Five, B 865 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 865?
The CAS number of B 865 is 78218-91-4.
What is the molecular formula of B 865?
The molecular formula of B 865 is C13H25BrCl3N2O4P.
What is the molecular weight of B 865?
The molecular weight of B 865 is 487.98 g/mol.
Where can I buy B 865?
You can request a quote for B 865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B 865?
Yes, KEHONG BIO provides custom synthesis services for B 865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.