NCI60_022763
TL;DR: NCI60_022763 (CAS 10165-86-3) is a chemical compound with molecular formula C21H33NO3 and molecular weight 347.25 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-cyclohexyl-2-hydroxy-5-methylhex-3-ynoate
Also Known As: NCI60_022763, 2-Methyl-3-quinuclidyl cyclohexyl(3-methyl-1-butynyl)glycolate A, 2-Methyl-3-quinuclidyl cyclohexyl(3-methyl-1-butynyl)glycolate B, 2-Methyl-1-azabicyclo[2.2.2]oct-3-yl 2-cyclohexyl-2-hydroxy-5-methyl-3-hexynoate, Cyclohexaneglycolic acid, alpha-(3-methyl-1-butynyl)-, 2-methyl-3-quinuclidinyl ester
| Molecular Formula | C21H33NO3 |
|---|---|
| Molecular Weight | 347.25 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.24603 |
| Heavy Atoms | 25 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 10165-86-3 |
|---|---|
| SMILES | CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCCC3)O |
| InChIKey | QAPPZPYLSRRINH-UHFFFAOYSA-N |
Product Overview
NCI60_022763 (CAS 10165-86-3), with molecular formula C21H33NO3 and molecular weight 347.25 g/mol. IUPAC: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-hydroxy-5-methylhex-3-ynoate.
Chemical Property Profile of NCI60_022763
Property Insights of NCI60_022763
The XLogP value of 4.3 indicates that NCI60_022763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, NCI60_022763 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_022763 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 NCI60_022763?
The CAS number of NCI60_022763 is 10165-86-3.
What is the molecular formula of NCI60_022763?
The molecular formula of NCI60_022763 is C21H33NO3.
What is the molecular weight of NCI60_022763?
The molecular weight of NCI60_022763 is 347.25 g/mol.
Where can I buy NCI60_022763?
You can request a quote for NCI60_022763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_022763?
Yes, KEHONG BIO provides custom synthesis services for NCI60_022763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.