Solabegron (hydrochloride)
TL;DR: Solabegron (hydrochloride) (CAS 252920-94-8) is a chemical compound with molecular formula C23H23ClN2O3 and molecular weight 410.14 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
Also Known As: Solabegron, Solabegron (hydrochloride), GW 427353B, 3'-(2 (2 (3 chlorophenyl)-2-hydroxyethylamino)ethylamino)biphenyl-3-carboxylic acid, 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
| Molecular Formula | C23H23ClN2O3 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 4.4403 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1397 |
| Heavy Atoms | 29 |
| Complexity | 977.5966 |
Chemical Identifiers
| CAS Number | 252920-94-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNCC(C3=CC(=CC=C3)Cl)O |
Product Overview
Solabegron (hydrochloride) (CAS 252920-94-8), with molecular formula C23H23ClN2O3 and molecular weight 410.14 g/mol. IUPAC: 3-[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid.
Chemical Property Profile of Solabegron (hydrochloride)
Property Insights of Solabegron (hydrochloride)
The XLogP value of 4.4403 indicates that Solabegron (hydrochloride) 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 Solabegron (hydrochloride). Following Lipinski's Rule of Five, Solabegron (hydrochloride) 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 Solabegron (hydrochloride)?
The CAS number of Solabegron (hydrochloride) is 252920-94-8.
What is the molecular formula of Solabegron (hydrochloride)?
The molecular formula of Solabegron (hydrochloride) is C23H23ClN2O3.
What is the molecular weight of Solabegron (hydrochloride)?
The molecular weight of Solabegron (hydrochloride) is 410.14 g/mol.
Where can I buy Solabegron (hydrochloride)?
You can request a quote for Solabegron (hydrochloride) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Solabegron (hydrochloride)?
Yes, KEHONG BIO provides custom synthesis services for Solabegron (hydrochloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.