RefChem:335988
TL;DR: RefChem:335988 (CAS 101932-08-5) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.23 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-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate
Also Known As: 2-Methyl-3-quinuclidyl cyclopentyl(3-methyl-1-butynyl)glycolate A, 2-Methyl-3-quinuclidyl cyclopentyl(3-methyl-1-butynyl)glycolate B, Cyclopentaneglycolic acid, alpha-(3-methylbut-ynyl)-, 2-methyl-3-quinuclidinyl ester, (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate, (1r,4r)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate
| Molecular Formula | C20H31NO3 |
|---|---|
| Molecular Weight | 333.23 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.2304 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 101932-08-5 |
|---|---|
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCC3)O |
| InChIKey | XTMSIXVWPIMEEC-UHFFFAOYSA-N |
Product Overview
RefChem:335988 (CAS 101932-08-5), with molecular formula C20H31NO3 and molecular weight 333.23 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate.
Chemical Property Profile of RefChem:335988
Property Insights of RefChem:335988
The XLogP value of 3.8 indicates that RefChem:335988 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:335988 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335988 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:335988?
The CAS number of RefChem:335988 is 101932-08-5.
What is the molecular formula of RefChem:335988?
The molecular formula of RefChem:335988 is C20H31NO3.
What is the molecular weight of RefChem:335988?
The molecular weight of RefChem:335988 is 333.23 g/mol.
Where can I buy RefChem:335988?
You can request a quote for RefChem:335988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.