Deacetylsclerotiorin
TL;DR: Deacetylsclerotiorin (CAS 34696-50-9) is a chemical compound with molecular formula C19H21ClO4 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methylisochromene-6,8-dione
Also Known As: Deacetylsclerotiorin, (+)-Deacetylsclerotiorin, Deacetylsclerotiorin, (+)-, J1.067.118C, (7R)-5-Chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl)-7-hydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione
| Molecular Formula | C19H21ClO4 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 3.7287 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.11282 |
| Heavy Atoms | 24 |
| Complexity | 732.46576 |
Chemical Identifiers
| CAS Number | 34696-50-9 |
|---|---|
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@](C(=O)C2=CO1)(C)O)Cl |
Product Overview
Deacetylsclerotiorin (CAS 34696-50-9), with molecular formula C19H21ClO4 and molecular weight 348.11 g/mol. IUPAC: (7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methylisochromene-6,8-dione.
Chemical Property Profile of Deacetylsclerotiorin
Property Insights of Deacetylsclerotiorin
The XLogP value of 3.7287 indicates that Deacetylsclerotiorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetylsclerotiorin. Following Lipinski's Rule of Five, Deacetylsclerotiorin has 1 hydrogen bond donor(s) and 4 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 Deacetylsclerotiorin?
The CAS number of Deacetylsclerotiorin is 34696-50-9.
What is the molecular formula of Deacetylsclerotiorin?
The molecular formula of Deacetylsclerotiorin is C19H21ClO4.
What is the molecular weight of Deacetylsclerotiorin?
The molecular weight of Deacetylsclerotiorin is 348.11 g/mol.
Where can I buy Deacetylsclerotiorin?
You can request a quote for Deacetylsclerotiorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylsclerotiorin?
Yes, KEHONG BIO provides custom synthesis services for Deacetylsclerotiorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.