Isorotiorin
TL;DR: Isorotiorin (CAS 34696-07-6) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-1,9,9a,9b-tetrahydrofuro[2,3-h]isochromene-6,8-dione
Also Known As: Isorotiorin, 6H-Furo(2,3-h)-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, (6aR), (6aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-1,9,9a,9b-tetrahydrofuro[2,3-h]isochromene-6,8-dione, 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-[1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-6a-methyl-, (6aR)
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 3.7113 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 827.9307 |
Chemical Identifiers
| CAS Number | 34696-07-6 |
|---|---|
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3(C(C2CO1)C(C(=O)O3)C(=O)C)C |
Product Overview
Isorotiorin (CAS 34696-07-6), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: (6aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-1,9,9a,9b-tetrahydrofuro[2,3-h]isochromene-6,8-dione.
Chemical Property Profile of Isorotiorin
Property Insights of Isorotiorin
The XLogP value of 3.7113 indicates that Isorotiorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Isorotiorin. Following Lipinski's Rule of Five, Isorotiorin 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 Isorotiorin?
The CAS number of Isorotiorin is 34696-07-6.
What is the molecular formula of Isorotiorin?
The molecular formula of Isorotiorin is C23H28O5.
What is the molecular weight of Isorotiorin?
The molecular weight of Isorotiorin is 384.19 g/mol.
Where can I buy Isorotiorin?
You can request a quote for Isorotiorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorotiorin?
Yes, KEHONG BIO provides custom synthesis services for Isorotiorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.