Granulatin
TL;DR: Granulatin (CAS 69306-81-6) is a chemical compound with molecular formula C19H16O8 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate
Also Known As: Granulatin, Methyl virensate, Granulatine, NCI60_019854, 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4-formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-, methyl ester
| Molecular Formula | C19H16O8 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.94706 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.0845 |
| Heavy Atoms | 27 |
| Complexity | 1019.59045 |
Chemical Identifiers
| CAS Number | 69306-81-6 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)OC)C)C=O)O |
Product Overview
Granulatin (CAS 69306-81-6), with molecular formula C19H16O8 and molecular weight 372.08 g/mol. IUPAC: methyl 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate.
Chemical Property Profile of Granulatin
Property Insights of Granulatin
The XLogP value of 2.94706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Granulatin. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Granulatin. Following Lipinski's Rule of Five, Granulatin has 2 hydrogen bond donor(s) and 8 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 Granulatin?
The CAS number of Granulatin is 69306-81-6.
What is the molecular formula of Granulatin?
The molecular formula of Granulatin is C19H16O8.
What is the molecular weight of Granulatin?
The molecular weight of Granulatin is 372.08 g/mol.
Where can I buy Granulatin?
You can request a quote for Granulatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Granulatin?
Yes, KEHONG BIO provides custom synthesis services for Granulatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.