RefChem:351927
TL;DR: RefChem:351927 (CAS 101710-92-3) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopropyl-2-hydroxy-2-phenylacetate
Also Known As: cis-2-Methyl-3-quinuclidyl phenyl(cyclopropyl)glycolate (mixed isomers), Mandelic acid, alpha-cyclopropyl-, 2-methyl-3-quinuclidinyl ester, (mixed isomer), 2-methyl-1-azabicyclo[2.2.2]oct-3-yl cyclopropyl(hydroxy)phenylacetate, (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopropyl-2-hydroxy-2-phenylacetate, 2-Methyl-1-azabicyclo[2.2.2]octan-3-yl cyclopropyl(hydroxy)(phenyl)acetate
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 101710-92-3 |
|---|---|
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C3CC3)(C4=CC=CC=C4)O |
| InChIKey | NGPCIRTYPXETNI-UHFFFAOYSA-N |
Product Overview
RefChem:351927 (CAS 101710-92-3), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopropyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:351927
Property Insights of RefChem:351927
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351927. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:351927 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351927 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:351927?
The CAS number of RefChem:351927 is 101710-92-3.
What is the molecular formula of RefChem:351927?
The molecular formula of RefChem:351927 is C19H25NO3.
What is the molecular weight of RefChem:351927?
The molecular weight of RefChem:351927 is 315.18 g/mol.
Where can I buy RefChem:351927?
You can request a quote for RefChem:351927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.