4-Demethylgriseofulvin
TL;DR: 4-Demethylgriseofulvin (CAS 5128-41-6) is a chemical compound with molecular formula C16H15ClO6 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Also Known As: Desmethylgriseofulvin, 4-Demethylgriseofulvin, 4-Desmethylgriseofulvin, 2'-demethylgriseofulvin, 4-O-Demethyl Griseofulvin
| Molecular Formula | C16H15ClO6 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 2.5073 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.05573 |
| Heavy Atoms | 23 |
| Complexity | 753.4276 |
Chemical Identifiers
| CAS Number | 5128-41-6 |
|---|---|
| SMILES | CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3O)OC)Cl)OC |
Product Overview
4-Demethylgriseofulvin (CAS 5128-41-6), with molecular formula C16H15ClO6 and molecular weight 338.06 g/mol. IUPAC: 7-chloro-4-hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione.
Chemical Property Profile of 4-Demethylgriseofulvin
Property Insights of 4-Demethylgriseofulvin
The XLogP value of 2.5073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethylgriseofulvin. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Demethylgriseofulvin. Following Lipinski's Rule of Five, 4-Demethylgriseofulvin has 1 hydrogen bond donor(s) and 6 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 4-Demethylgriseofulvin?
The CAS number of 4-Demethylgriseofulvin is 5128-41-6.
What is the molecular formula of 4-Demethylgriseofulvin?
The molecular formula of 4-Demethylgriseofulvin is C16H15ClO6.
What is the molecular weight of 4-Demethylgriseofulvin?
The molecular weight of 4-Demethylgriseofulvin is 338.06 g/mol.
Where can I buy 4-Demethylgriseofulvin?
You can request a quote for 4-Demethylgriseofulvin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethylgriseofulvin?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethylgriseofulvin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.