RefChem:351903
TL;DR: RefChem:351903 (CAS 93101-74-7) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 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-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Also Known As: 3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl phenyl(1-cyclopentenyl)glycolate, Mandelic acid, alpha-(1-cyclopentenyl)-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, 1-Azabicyclo[2.2.2]oct-2-en-3-ylmethyl2-cyclopenten-1-yl-2-hydroxy-2-phenylacetate, (1-Azabicyclo[2.2.2]oct-2-en-3-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)(phenyl)acetate, (1-Azabicyclo[2.2.2]oct-2-en-3-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)phenylacetate
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 93101-74-7 |
|---|---|
| SMILES | C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OCC3=CN4CCC3CC4)O |
| InChIKey | GURMBSRAXNTMAC-UHFFFAOYSA-N |
Product Overview
RefChem:351903 (CAS 93101-74-7), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:351903
Property Insights of RefChem:351903
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351903. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:351903 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351903 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:351903?
The CAS number of RefChem:351903 is 93101-74-7.
What is the molecular formula of RefChem:351903?
The molecular formula of RefChem:351903 is C21H25NO3.
What is the molecular weight of RefChem:351903?
The molecular weight of RefChem:351903 is 339.18 g/mol.
Where can I buy RefChem:351903?
You can request a quote for RefChem:351903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351903?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.