Helicascolide A
TL;DR: Helicascolide A (CAS 121350-98-9) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
Also Known As: Helicascolide A, Helicascolide B, J3.071.873I, (4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one, (4R,5S,6S)-6-((E)-but-2-en-2-yl)-4-hydroxy-3,3,5-trimethyloxan-2-one
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.9012 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 291.24237 |
Chemical Identifiers
| CAS Number | 121350-98-9 |
|---|---|
| SMILES | C/C=C(\C)/[C@@H]1[C@H]([C@H](C(C(=O)O1)(C)C)O)C |
Product Overview
Helicascolide A (CAS 121350-98-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: (4R,5S,6S)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one.
Chemical Property Profile of Helicascolide A
Property Insights of Helicascolide A
The XLogP value of 1.9012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Helicascolide A. With a topological polar surface area (TPSA) of 46.53 Ų, Helicascolide A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Helicascolide A has 1 hydrogen bond donor(s) and 3 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 Helicascolide A?
The CAS number of Helicascolide A is 121350-98-9.
What is the molecular formula of Helicascolide A?
The molecular formula of Helicascolide A is C12H20O3.
What is the molecular weight of Helicascolide A?
The molecular weight of Helicascolide A is 212.14 g/mol.
Where can I buy Helicascolide A?
You can request a quote for Helicascolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Helicascolide A?
Yes, KEHONG BIO provides custom synthesis services for Helicascolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.