RefChem:1066408
TL;DR: RefChem:1066408 (CAS 15037-49-7) is a chemical compound with molecular formula C27H36ClNO3 and molecular weight 457.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Also Known As: alpha-Cyclopentylmandelic acid (3-(4-phenylpiperidino)propyl) ester hydrochloride, Mandelic acid, alpha-cyclopentyl-, 3-(4-phenylpiperidino)propyl ester, hydrochloride, 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride, 3-(1-Phenylpiperidin-4-yl)propyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1), RefChem:1066408
| Molecular Formula | C27H36ClNO3 |
|---|---|
| Molecular Weight | 457.24 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.23837 |
| Heavy Atoms | 32 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 15037-49-7 |
|---|---|
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCCC3CC[NH+](CC3)C4=CC=CC=C4)O.[Cl-] |
| InChIKey | KEMJRHORYCWEJC-UHFFFAOYSA-N |
Product Overview
RefChem:1066408 (CAS 15037-49-7), with molecular formula C27H36ClNO3 and molecular weight 457.24 g/mol. IUPAC: 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride.
Chemical Property Profile of RefChem:1066408
Property Insights of RefChem:1066408
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066408. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1066408 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066408 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
Frequently Asked Questions
What is the CAS number of RefChem:1066408?
The CAS number of RefChem:1066408 is 15037-49-7.
What is the molecular formula of RefChem:1066408?
The molecular formula of RefChem:1066408 is C27H36ClNO3.
What is the molecular weight of RefChem:1066408?
The molecular weight of RefChem:1066408 is 457.24 g/mol.
Where can I buy RefChem:1066408?
You can request a quote for RefChem:1066408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066408?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.