Nepetaefolin
TL;DR: Nepetaefolin (CAS 29606-32-4) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Nepetefolin, Nepetaefolin, 1''-methyl-11''-oxo-1'',3',3'',4',4'',7'',8'',8a''-octahydro-2''h-trispiro[furan-3,2'-furan-5',5''-[1,4a](methanooxymethano)naphthalene-6'',2'''-oxiran]-8''-yl acetate, 1''-Methyl-11''-oxo-1'',3'',4'',7'',8'',8''a-hexahydro-2H,2''H-trispiro[furan-3,2'-oxolane-5',5''-[1,4a](methanooxymethano)naphthalene-6'',2'''-oxiran]-8''-yl acetate, 8.beta.H-Labd-14-en-19-oic acid, 8,20:9,13:15,16-triepoxy-6.beta.,17-dihydroxy-, .delta.-lactone, acetate
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 29606-32-4 |
|---|---|
| SMILES | CC(=O)OC1CC2(CO2)C3(CCC4(O3)COC=C4)C56C1C(CCC5)(C(=O)OC6)C |
| InChIKey | ITQNNYKKNNEJKM-UHFFFAOYSA-N |
Product Overview
Nepetaefolin (CAS 29606-32-4), with molecular formula C22H28O7 and molecular weight 404.18 g/mol.
Chemical Property Profile of Nepetaefolin
Property Insights of Nepetaefolin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nepetaefolin. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nepetaefolin. Following Lipinski's Rule of Five, Nepetaefolin has 0 hydrogen bond donor(s) and 7 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 Nepetaefolin?
The CAS number of Nepetaefolin is 29606-32-4.
What is the molecular formula of Nepetaefolin?
The molecular formula of Nepetaefolin is C22H28O7.
What is the molecular weight of Nepetaefolin?
The molecular weight of Nepetaefolin is 404.18 g/mol.
Where can I buy Nepetaefolin?
You can request a quote for Nepetaefolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nepetaefolin?
Yes, KEHONG BIO provides custom synthesis services for Nepetaefolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.