Ajugarin-v
TL;DR: Ajugarin-v (CAS 82231-14-9) is a chemical compound with molecular formula C22H32O5 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate
Also Known As: ajugarin-v, Ajugarin V, AJUGARIN-V [MI], (1R,4aR,5S,6R,8S,8aS)-5,6,8a-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-8-yl acetate, [(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 82231-14-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@]24CO4)C)OC(=O)C |
| InChIKey | NQYDGORVAIQDBB-FYHNCAPNSA-N |
Product Overview
Ajugarin-v (CAS 82231-14-9), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: [(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate.
Chemical Property Profile of Ajugarin-v
Property Insights of Ajugarin-v
The XLogP value of 3.6 indicates that Ajugarin-v is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugarin-v. Following Lipinski's Rule of Five, Ajugarin-v has 0 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 Ajugarin-v?
The CAS number of Ajugarin-v is 82231-14-9.
What is the molecular formula of Ajugarin-v?
The molecular formula of Ajugarin-v is C22H32O5.
What is the molecular weight of Ajugarin-v?
The molecular weight of Ajugarin-v is 376.22 g/mol.
Where can I buy Ajugarin-v?
You can request a quote for Ajugarin-v directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugarin-v?
Yes, KEHONG BIO provides custom synthesis services for Ajugarin-v and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.