(+)-Ivalin
TL;DR: (+)-Ivalin (CAS 5938-03-4) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Also Known As: Ivalin, (+)-Ivalin, (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one, Eudesma-4(14),11(13)-dien-12-oic acid, 2,8-dihydroxy-, gamma-lactone, (3aR)-7alpha-Hydroxy-3,5-bismethylene-8abeta-methyl-3a,4,4aalpha,5,6,7,8,8a,9,9aalpha-decahydronaphtho[2,3-b]furan-2(3H)-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 5938-03-4 |
|---|---|
| SMILES | C[C@]12C[C@H](CC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)O |
| InChIKey | OVIILQQKQPCQTF-GGAZOKNXSA-N |
Product Overview
(+)-Ivalin (CAS 5938-03-4), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one.
Chemical Property Profile of (+)-Ivalin
Property Insights of (+)-Ivalin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Ivalin. With a topological polar surface area (TPSA) of 46.5 Ų, (+)-Ivalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Ivalin 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 (+)-Ivalin?
The CAS number of (+)-Ivalin is 5938-03-4.
What is the molecular formula of (+)-Ivalin?
The molecular formula of (+)-Ivalin is C15H20O3.
What is the molecular weight of (+)-Ivalin?
The molecular weight of (+)-Ivalin is 248.14 g/mol.
Where can I buy (+)-Ivalin?
You can request a quote for (+)-Ivalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Ivalin?
Yes, KEHONG BIO provides custom synthesis services for (+)-Ivalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.