Arnicolide A
TL;DR: Arnicolide A (CAS 36505-53-0) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Also Known As: Arnicolide A, Isotenulin, Dihydrohelenalin acetate, Dihydrohelenalin acatate, 6-O-Acetyldihydrohelenalin
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 36505-53-0 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C |
| InChIKey | NEIIKBWBBCJSQU-HESYKRBGSA-N |
Product Overview
Arnicolide A (CAS 36505-53-0), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of Arnicolide A
Property Insights of Arnicolide A
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arnicolide A. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Arnicolide A. Following Lipinski's Rule of Five, Arnicolide A 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 Arnicolide A?
The CAS number of Arnicolide A is 36505-53-0.
What is the molecular formula of Arnicolide A?
The molecular formula of Arnicolide A is C17H22O5.
What is the molecular weight of Arnicolide A?
The molecular weight of Arnicolide A is 306.15 g/mol.
Where can I buy Arnicolide A?
You can request a quote for Arnicolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arnicolide A?
Yes, KEHONG BIO provides custom synthesis services for Arnicolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.