Granulatine
TL;DR: Granulatine (CAS 668-14-4) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: Granulatine, Virensic acid, 4-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid, 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid, 1,6,9-Trimethyl-3,8-dihydroxy-4-formyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.85866 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 1003.4714 |
Chemical Identifiers
| CAS Number | 668-14-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)O)C)C=O)O |
Product Overview
Granulatine (CAS 668-14-4), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid.
Chemical Property Profile of Granulatine
Property Insights of Granulatine
The XLogP value of 2.85866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Granulatine. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Granulatine. Following Lipinski's Rule of Five, Granulatine has 3 hydrogen bond donor(s) and 7 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 Granulatine?
The CAS number of Granulatine is 668-14-4.
What is the molecular formula of Granulatine?
The molecular formula of Granulatine is C18H14O8.
What is the molecular weight of Granulatine?
The molecular weight of Granulatine is 358.07 g/mol.
Where can I buy Granulatine?
You can request a quote for Granulatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Granulatine?
Yes, KEHONG BIO provides custom synthesis services for Granulatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.