((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
TL;DR: ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid (CAS 106871-13-0) is a chemical compound with molecular formula C12H19Cl2NO7P2 and molecular weight 421.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid
Also Known As: BCMP, ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid, 4-(6-Hydroxyhexyloxy)-4'-methoxybiphenyl, [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid, 3-(Bis(2-chloroethyl)amino)-4-methylphenyl-hydroxymethanbiphosphonic acid
| Molecular Formula | C12H19Cl2NO7P2 |
|---|---|
| Molecular Weight | 421.00 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.00137 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 106871-13-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(O)(P(=O)(O)O)P(=O)(O)O)N(CCCl)CCCl |
| InChIKey | SBZOGCANHKAYKV-UHFFFAOYSA-N |
Product Overview
((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid (CAS 106871-13-0), with molecular formula C12H19Cl2NO7P2 and molecular weight 421.00 g/mol. IUPAC: [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid.
Chemical Property Profile of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
Property Insights of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
The XLogP value of -0.9 indicates that ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)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 ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid. Following Lipinski's Rule of Five, ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)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 ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid?
The CAS number of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid is 106871-13-0.
What is the molecular formula of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid?
The molecular formula of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid is C12H19Cl2NO7P2.
What is the molecular weight of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid?
The molecular weight of ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid is 421.00 g/mol.
Where can I buy ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid?
You can request a quote for ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid?
Yes, KEHONG BIO provides custom synthesis services for ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.