RefChem:1049267
TL;DR: RefChem:1049267 (CAS 93101-36-1) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
Also Known As: Mandelic acid, alpha-(3-methylbut-1-yn-3-en-1-yl)-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, (1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate, 4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl phenyl(3-methyl-but-1-yn-3-enyl)glycolate, (1-Methyl-3,6-dihydro-2H-pyridin-4-yl)methyl2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate, (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 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 | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 93101-36-1 |
|---|---|
| SMILES | CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OCC2=CCN(CC2)C)O |
| InChIKey | FODUEESCYFGXMP-UHFFFAOYSA-N |
Product Overview
RefChem:1049267 (CAS 93101-36-1), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate.
Chemical Property Profile of RefChem:1049267
Property Insights of RefChem:1049267
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1049267. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1049267 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049267 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:1049267?
The CAS number of RefChem:1049267 is 93101-36-1.
What is the molecular formula of RefChem:1049267?
The molecular formula of RefChem:1049267 is C20H23NO3.
What is the molecular weight of RefChem:1049267?
The molecular weight of RefChem:1049267 is 325.17 g/mol.
Where can I buy RefChem:1049267?
You can request a quote for RefChem:1049267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.