Granaticin A
TL;DR: Granaticin A (CAS 19879-06-2) is a chemical compound with molecular formula C22H20O10 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione
Also Known As: Granaticin A, Granatcin-A, tetrahydroxy(dimethyl)[?]trione, 7,8,9,12-Tetrahydroxy-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,6,13-trione
| Molecular Formula | C22H20O10 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 444.10565 |
| Heavy Atoms | 32 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 19879-06-2 |
|---|---|
| SMILES | CC1C2=C(C3C(O1)CC(=O)O3)C(=C4C(=C2O)C(=O)C5=C(C4=O)C6CC(C5(C(O6)C)O)O)O |
| InChIKey | ONQCWTVJMHJRFM-UHFFFAOYSA-N |
Product Overview
Granaticin A (CAS 19879-06-2), with molecular formula C22H20O10 and molecular weight 444.11 g/mol. IUPAC: 5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione.
Chemical Property Profile of Granaticin A
Property Insights of Granaticin A
The XLogP value of -0.4 indicates that Granaticin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Granaticin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Granaticin A has 4 hydrogen bond donor(s) and 10 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 Granaticin A?
The CAS number of Granaticin A is 19879-06-2.
What is the molecular formula of Granaticin A?
The molecular formula of Granaticin A is C22H20O10.
What is the molecular weight of Granaticin A?
The molecular weight of Granaticin A is 444.11 g/mol.
Where can I buy Granaticin A?
You can request a quote for Granaticin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Granaticin A?
Yes, KEHONG BIO provides custom synthesis services for Granaticin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.