Valeroidine
TL;DR: Valeroidine (CAS 490-96-0) is a chemical compound with molecular formula C13H23NO3 and molecular weight 241.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-methylbutanoate
Also Known As: Valeroidine, [(3R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-methylbutanoate, (3R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methylbutanoate, ((3R,6R)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-methylbutanoate, (1R,3R,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl 3-methylbutanoic acid
| Molecular Formula | C13H23NO3 |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1678 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 490-96-0 |
|---|---|
| SMILES | CC(C)CC(=O)O[C@@H]1CC2C[C@H](C(C1)N2C)O |
| InChIKey | APLLVFVOTXZBFO-RUJICJSRSA-N |
Product Overview
Valeroidine (CAS 490-96-0), with molecular formula C13H23NO3 and molecular weight 241.17 g/mol. IUPAC: [(3R,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-methylbutanoate.
Chemical Property Profile of Valeroidine
Property Insights of Valeroidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeroidine. With a topological polar surface area (TPSA) of 49.8 Ų, Valeroidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeroidine 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 Valeroidine?
The CAS number of Valeroidine is 490-96-0.
What is the molecular formula of Valeroidine?
The molecular formula of Valeroidine is C13H23NO3.
What is the molecular weight of Valeroidine?
The molecular weight of Valeroidine is 241.17 g/mol.
Where can I buy Valeroidine?
You can request a quote for Valeroidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeroidine?
Yes, KEHONG BIO provides custom synthesis services for Valeroidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.