RefChem:1088818
TL;DR: RefChem:1088818 (CAS 93101-40-7) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.20 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-hydroxy-3-methyl-2-phenylbutanoate
Also Known As: Mandelic acid, alpha-isopropyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, 4-(1-Methyl-1,2,3,6-tetrahydropyridine)ethyl-alpha-isopropyl-alpha-phenylglycolate, 2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl 2-hydroxy-3-methyl-2-phenylbutanoate, 2-(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl2-hydroxy-3-methyl-2-phenylbutanoate, 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-hydroxy-3-methyl-2-phenylbutanoate
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 93101-40-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCCC2=CCN(CC2)C)O |
| InChIKey | ACUUGWZGMVEBOS-UHFFFAOYSA-N |
Product Overview
RefChem:1088818 (CAS 93101-40-7), with molecular formula C19H27NO3 and molecular weight 317.20 g/mol. IUPAC: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-hydroxy-3-methyl-2-phenylbutanoate.
Chemical Property Profile of RefChem:1088818
Property Insights of RefChem:1088818
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1088818. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1088818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1088818 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:1088818?
The CAS number of RefChem:1088818 is 93101-40-7.
What is the molecular formula of RefChem:1088818?
The molecular formula of RefChem:1088818 is C19H27NO3.
What is the molecular weight of RefChem:1088818?
The molecular weight of RefChem:1088818 is 317.20 g/mol.
Where can I buy RefChem:1088818?
You can request a quote for RefChem:1088818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088818?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.