RefChem:1049225
TL;DR: RefChem:1049225 (CAS 93101-48-5) is a chemical compound with molecular formula C21H29NO3 and molecular weight 343.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Also Known As: Mandelic acid, alpha-cyclopentyl-, 1,4-dimethyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, 3-(1,3-Dimethyl-1,2,5,6-tetrahydropyridine)methyl-alpha-cyclopentyl alpha-phenylglycolate, (1,4-dimethyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopentyl(hydroxy)phenylacetate, (1,4-Dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl2-cyclopentyl-2-hydroxy-2-phenylacetate, (1,4-Dimethyl-1,2,5,6-tetrahydropyridin-3-yl)methyl cyclopentyl(hydroxy)(phenyl)acetate
| Molecular Formula | C21H29NO3 |
|---|---|
| Molecular Weight | 343.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.21475 |
| Heavy Atoms | 25 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 93101-48-5 |
|---|---|
| SMILES | CC1=C(CN(CC1)C)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O |
| InChIKey | QGDNFGBHPJPVAY-UHFFFAOYSA-N |
Product Overview
RefChem:1049225 (CAS 93101-48-5), with molecular formula C21H29NO3 and molecular weight 343.21 g/mol. IUPAC: (1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:1049225
Property Insights of RefChem:1049225
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049225. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1049225 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049225 has 1 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:1049225?
The CAS number of RefChem:1049225 is 93101-48-5.
What is the molecular formula of RefChem:1049225?
The molecular formula of RefChem:1049225 is C21H29NO3.
What is the molecular weight of RefChem:1049225?
The molecular weight of RefChem:1049225 is 343.21 g/mol.
Where can I buy RefChem:1049225?
You can request a quote for RefChem:1049225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049225?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.