Sclerotiorin
TL;DR: Sclerotiorin (CAS 549-23-5) is a chemical compound with molecular formula C21H23ClO5 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate
Also Known As: Sclerotiorin, (R-(R*,S*-(E,E)))-7-(Acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-methyl-6H-2-benzopyrane-6,8(7H)-dione
| Molecular Formula | C21H23ClO5 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.1234 |
| Heavy Atoms | 27 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 549-23-5 |
|---|---|
| SMILES | CC[C@H](C)C=C(C)C=CC1=CC2=C(C(=O)[C@](C(=O)C2=CO1)(C)OC(=O)C)Cl |
| InChIKey | SWJLTKXURNHVHE-LAJNKCICSA-N |
Product Overview
Sclerotiorin (CAS 549-23-5), with molecular formula C21H23ClO5 and molecular weight 390.12 g/mol. IUPAC: [(7R)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate.
Chemical Property Profile of Sclerotiorin
Property Insights of Sclerotiorin
The XLogP value of 4.8 indicates that Sclerotiorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Sclerotiorin. Following Lipinski's Rule of Five, Sclerotiorin 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 Sclerotiorin?
The CAS number of Sclerotiorin is 549-23-5.
What is the molecular formula of Sclerotiorin?
The molecular formula of Sclerotiorin is C21H23ClO5.
What is the molecular weight of Sclerotiorin?
The molecular weight of Sclerotiorin is 390.12 g/mol.
Where can I buy Sclerotiorin?
You can request a quote for Sclerotiorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sclerotiorin?
Yes, KEHONG BIO provides custom synthesis services for Sclerotiorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.