Arnicolide D
TL;DR: Arnicolide D (CAS 345349-93-1) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 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] 2-methylprop-2-enoate
Also Known As: Arnicolide D, ArnicolideD, 11,13-Dihydrohelenalin methacrylate, (s)-(2-acetamidomethyl)pyrrolidine, HY-N6843
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 345349-93-1 |
|---|---|
| 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(=C)C |
| InChIKey | NZESEVTYUVXOTC-APDQSUQKSA-N |
Product Overview
Arnicolide D (CAS 345349-93-1), with molecular formula C19H24O5 and molecular weight 332.16 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] 2-methylprop-2-enoate.
Chemical Property Profile of Arnicolide D
Property Insights of Arnicolide D
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arnicolide D. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Arnicolide D. Following Lipinski's Rule of Five, Arnicolide D 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 D?
The CAS number of Arnicolide D is 345349-93-1.
What is the molecular formula of Arnicolide D?
The molecular formula of Arnicolide D is C19H24O5.
What is the molecular weight of Arnicolide D?
The molecular weight of Arnicolide D is 332.16 g/mol.
Where can I buy Arnicolide D?
You can request a quote for Arnicolide D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arnicolide D?
Yes, KEHONG BIO provides custom synthesis services for Arnicolide D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.