RefChem:351933
TL;DR: RefChem:351933 (CAS 93101-67-8) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
Also Known As: 2-Tropidinemethyl alpha-isopropyl-alpha-phenylglycolate, Mandelic acid, alpha-isopropyl-, (2,3-didehydro-1-alpha-H,5-alpha-H-tropan-2-yl)methyl ester, (8-methyl-8-azabicyclo[3.2.1]oct-3-en-4-yl)methyl 2-hydroxy-, (8-Methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate, (8-methyl-8-azabicyclo[3.2.1]oct-3-en-4-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 93101-67-8 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CCC3CCC2N3C)O |
| InChIKey | HOJNIJKBHYQFTN-UHFFFAOYSA-N |
Product Overview
RefChem:351933 (CAS 93101-67-8), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]oct-2-en-2-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate.
Chemical Property Profile of RefChem:351933
Property Insights of RefChem:351933
The XLogP value of 3.0 indicates that RefChem:351933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:351933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351933 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:351933?
The CAS number of RefChem:351933 is 93101-67-8.
What is the molecular formula of RefChem:351933?
The molecular formula of RefChem:351933 is C20H27NO3.
What is the molecular weight of RefChem:351933?
The molecular weight of RefChem:351933 is 329.20 g/mol.
Where can I buy RefChem:351933?
You can request a quote for RefChem:351933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.