RefChem:351928
TL;DR: RefChem:351928 (CAS 93101-75-8) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Also Known As: 3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl phenyl(isopropenyl)glycolate, Mandelic acid, alpha-isopropenyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, 1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl2-hydroxy-3-methyl-2-phenylbut-3-enoate, (1-Azabicyclo[2.2.2]oct-2-en-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate, {1-azabicyclo[2.2.2]oct-2-en-3-yl}methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 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 | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 93101-75-8 |
|---|---|
| SMILES | CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O |
| InChIKey | WPXKBKPTHANSNP-UHFFFAOYSA-N |
Product Overview
RefChem:351928 (CAS 93101-75-8), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate.
Chemical Property Profile of RefChem:351928
Property Insights of RefChem:351928
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351928. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:351928 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351928 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:351928?
The CAS number of RefChem:351928 is 93101-75-8.
What is the molecular formula of RefChem:351928?
The molecular formula of RefChem:351928 is C19H23NO3.
What is the molecular weight of RefChem:351928?
The molecular weight of RefChem:351928 is 313.17 g/mol.
Where can I buy RefChem:351928?
You can request a quote for RefChem:351928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351928?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.