RefChem:1049274
TL;DR: RefChem:1049274 (CAS 101710-97-8) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-3,4-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Also Known As: Mandelic acid, alpha-isopropenyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl phenyl(iso-propenyl)glycolate, (1-methyl-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate, (1-Methyl-3,4-dihydro-2H-pyridin-5-yl)methyl2-hydroxy-3-methyl-2-phenylbut-3-enoate, 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methylphenyl(iso-propenyl)glycolate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 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 | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 101710-97-8 |
|---|---|
| SMILES | CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN(CCC2)C)O |
| InChIKey | AHUYBKUKIJKAPW-UHFFFAOYSA-N |
Product Overview
RefChem:1049274 (CAS 101710-97-8), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (1-methyl-3,4-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate.
Chemical Property Profile of RefChem:1049274
Property Insights of RefChem:1049274
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049274. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1049274 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049274 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:1049274?
The CAS number of RefChem:1049274 is 101710-97-8.
What is the molecular formula of RefChem:1049274?
The molecular formula of RefChem:1049274 is C18H23NO3.
What is the molecular weight of RefChem:1049274?
The molecular weight of RefChem:1049274 is 301.17 g/mol.
Where can I buy RefChem:1049274?
You can request a quote for RefChem:1049274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049274?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.