RefChem:1060650
TL;DR: RefChem:1060650 (CAS 93101-38-3) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
Also Known As: Mandelic acid, alpha-cyclopropyl-, 2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)ethyl ester, 4-(1-Methyl-1,2,3,6-tetrahydropyridine)ethyl-alpha-cyclopropyl-alpha-phenylglycolate, 2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl cyclopropyl(hydroxy)phenylacetate, 2-(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl2-cyclopropyl-2-hydroxy-2-phenylacetate, 2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 93101-38-3 |
|---|---|
| SMILES | CN1CCC(=CC1)CCOC(=O)C(C2CC2)(C3=CC=CC=C3)O |
| InChIKey | YMGCPBDDLMWGDO-UHFFFAOYSA-N |
Product Overview
RefChem:1060650 (CAS 93101-38-3), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopropyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:1060650
Property Insights of RefChem:1060650
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060650. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1060650 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060650 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:1060650?
The CAS number of RefChem:1060650 is 93101-38-3.
What is the molecular formula of RefChem:1060650?
The molecular formula of RefChem:1060650 is C19H25NO3.
What is the molecular weight of RefChem:1060650?
The molecular weight of RefChem:1060650 is 315.18 g/mol.
Where can I buy RefChem:1060650?
You can request a quote for RefChem:1060650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060650?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.