drochloride
TL;DR: drochloride (CAS 451470-34-1) is a chemical compound with molecular formula C23H24Cl2N2O3 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid;hydrochloride
Also Known As: drochloride, Solabegron, Solabegron Hydrochloride, 3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-[1,1'-biphenyl]-3-carboxylic acid hy, 3'-[(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]biphenyl-3-carboxylic acid hydrochloride
| Molecular Formula | C23H24Cl2N2O3 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.8621 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.1164 |
| Heavy Atoms | 30 |
| Complexity | 981.9219 |
Chemical Identifiers
| CAS Number | 451470-34-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O.Cl |
Product Overview
drochloride (CAS 451470-34-1), with molecular formula C23H24Cl2N2O3 and molecular weight 446.12 g/mol. IUPAC: 3-[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid;hydrochloride.
Chemical Property Profile of drochloride
Property Insights of drochloride
The XLogP value of 4.8621 indicates that drochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for drochloride. Following Lipinski's Rule of Five, drochloride has 4 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 drochloride?
The CAS number of drochloride is 451470-34-1.
What is the molecular formula of drochloride?
The molecular formula of drochloride is C23H24Cl2N2O3.
What is the molecular weight of drochloride?
The molecular weight of drochloride is 446.12 g/mol.
Where can I buy drochloride?
You can request a quote for drochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for drochloride?
Yes, KEHONG BIO provides custom synthesis services for drochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.