B-701
TL;DR: B-701 (CAS 78218-88-9) is a chemical compound with molecular formula C10H22Cl3N2O3P and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol
Also Known As: Vofatamab, B 701, B-701, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, (3-chloropropyl) ester, 3-chloropropyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate
| Molecular Formula | C10H22Cl3N2O3P |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 354.04337 |
| Heavy Atoms | 19 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 78218-88-9 |
|---|---|
| SMILES | C(CNP(=O)(N(CCCl)CCCl)OCCCCl)CO |
| InChIKey | VKRFJPYJBOIVPD-UHFFFAOYSA-N |
Product Overview
B-701 (CAS 78218-88-9), with molecular formula C10H22Cl3N2O3P and molecular weight 354.04 g/mol. IUPAC: 3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol.
Chemical Property Profile of B-701
Property Insights of B-701
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B-701. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for B-701. Following Lipinski's Rule of Five, B-701 has 2 hydrogen bond donor(s) and 5 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-701?
The CAS number of B-701 is 78218-88-9.
What is the molecular formula of B-701?
The molecular formula of B-701 is C10H22Cl3N2O3P.
What is the molecular weight of B-701?
The molecular weight of B-701 is 354.04 g/mol.
Where can I buy B-701?
You can request a quote for B-701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B-701?
Yes, KEHONG BIO provides custom synthesis services for B-701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.