4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
TL;DR: 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid (CAS 104233-81-0) is a chemical compound with molecular formula C14H23Cl2NO7P2 and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid
Also Known As: Formadicin B disodium dihydrate, 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid, [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid, (4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutylidene)bis-phosphonic acid, [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphono
| Molecular Formula | C14H23Cl2NO7P2 |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 449.03268 |
| Heavy Atoms | 26 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 104233-81-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(O)(P(=O)(O)O)P(=O)(O)O)N(CCCl)CCCl |
| InChIKey | JHBMGZJQVAIXNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid (CAS 104233-81-0), with molecular formula C14H23Cl2NO7P2 and molecular weight 449.03 g/mol. IUPAC: [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid.
Chemical Property Profile of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
Property Insights of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
The XLogP value of -0.1 indicates that 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid. Following Lipinski's Rule of Five, 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid has 5 hydrogen bond donor(s) and 8 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 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid?
The CAS number of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid is 104233-81-0.
What is the molecular formula of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid?
The molecular formula of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid is C14H23Cl2NO7P2.
What is the molecular weight of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid?
The molecular weight of 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid is 449.03 g/mol.
Where can I buy 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid?
You can request a quote for 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.