9-Hydroxycinchonan-6'-yl 3-methylbutanoate
TL;DR: 9-Hydroxycinchonan-6'-yl 3-methylbutanoate (CAS 83348-48-5) is a chemical compound with molecular formula C24H30N2O3 and molecular weight 394.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate
Also Known As: 6'-Isovaleryloxycinchonine, 6'-O-Isovalerylcupreidine, 9-hydroxycinchonan-6'-yl 3-methylbutanoate, Cinchonan-6',9-diol, 6'-(3-methylbutanoate), (9S)-, CINCHONINE, 6'-HYDROXY-, 6'-ISOVALERATE
| Molecular Formula | C24H30N2O3 |
|---|---|
| Molecular Weight | 394.23 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.22565 |
| Heavy Atoms | 29 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 83348-48-5 |
|---|---|
| SMILES | CC(C)CC(=O)OC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
| InChIKey | HBFSEHSHZJQUEN-UHFFFAOYSA-N |
Product Overview
9-Hydroxycinchonan-6'-yl 3-methylbutanoate (CAS 83348-48-5), with molecular formula C24H30N2O3 and molecular weight 394.23 g/mol. IUPAC: [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate.
Chemical Property Profile of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate
Property Insights of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate
The XLogP value of 3.9 indicates that 9-Hydroxycinchonan-6'-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxycinchonan-6'-yl 3-methylbutanoate. Following Lipinski's Rule of Five, 9-Hydroxycinchonan-6'-yl 3-methylbutanoate has 1 hydrogen bond donor(s) and 5 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 9-Hydroxycinchonan-6'-yl 3-methylbutanoate?
The CAS number of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate is 83348-48-5.
What is the molecular formula of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate?
The molecular formula of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate is C24H30N2O3.
What is the molecular weight of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate?
The molecular weight of 9-Hydroxycinchonan-6'-yl 3-methylbutanoate is 394.23 g/mol.
Where can I buy 9-Hydroxycinchonan-6'-yl 3-methylbutanoate?
You can request a quote for 9-Hydroxycinchonan-6'-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxycinchonan-6'-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxycinchonan-6'-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.