Valerianin
TL;DR: Valerianin (CAS 30634-66-3) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
Also Known As: valerianin, Valerianine, (-)-Valerianine, (S)-Valerianine, J2.369.861G
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 30634-66-3 |
|---|---|
| SMILES | CC1CCC2=C1C=NC=C2COC |
| InChIKey | ZRJLCVQCZVXUFB-UHFFFAOYSA-N |
Product Overview
Valerianin (CAS 30634-66-3), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 4-(methoxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
Chemical Property Profile of Valerianin
Property Insights of Valerianin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valerianin. With a topological polar surface area (TPSA) of 22.1 Ų, Valerianin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valerianin has 0 hydrogen bond donor(s) and 2 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 Valerianin?
The CAS number of Valerianin is 30634-66-3.
What is the molecular formula of Valerianin?
The molecular formula of Valerianin is C11H15NO.
What is the molecular weight of Valerianin?
The molecular weight of Valerianin is 177.12 g/mol.
Where can I buy Valerianin?
You can request a quote for Valerianin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valerianin?
Yes, KEHONG BIO provides custom synthesis services for Valerianin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.