RefChem:1055314
TL;DR: RefChem:1055314 (CAS 101710-78-5) is a chemical compound with molecular formula C23H34ClNO3 and molecular weight 407.22272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-cyclohexylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: AHR 451, alpha-Cyclopentylmandelic acid 1-cyclohexyl-3-pyrrolidinyl ester hydrochloride, Mandelic acid, alpha-cyclopentyl-, 1-cyclohexyl-3-pyrrolidinyl ester, hydrochloride, 1-cyclohexyl-3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}pyrrolidinium chloride, (1-Cyclohexylpyrrolidin-1-ium-3-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Technical Specifications
| Molecular Formula | C23H34ClNO3 |
| Molecular Weight | 407.22272 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.22272 Da |
| Heavy Atoms | 28 |
| Complexity | 492.0 |
| SMILES | C1CCC(CC1)[NH+]2CCC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | DGEPCDCYOHENND-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1055314
Property Insights of RefChem:1055314
The XLogP value of -0.4 indicates that RefChem:1055314 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1055314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055314 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1055314?
The CAS number of RefChem:1055314 is 101710-78-5.
What is the molecular formula of RefChem:1055314?
The molecular formula of RefChem:1055314 is C23H34ClNO3.
What is the molecular weight of RefChem:1055314?
The molecular weight of RefChem:1055314 is 407.22272 g/mol.
Where can I buy RefChem:1055314?
You can request a quote for RefChem:1055314 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1055314?
Yes, CoreyChem provides custom synthesis services for RefChem:1055314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.