Granaticin B
TL;DR: Granaticin B (CAS 19879-03-9) is a chemical compound with molecular formula C28H30O12 and molecular weight 558.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,15,19-trihydroxy-23-(5-hydroxy-6-methyloxan-2-yl)oxy-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 B, 6,8,13-Trihydroxy-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-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-2,7,12-trione
| Molecular Formula | C28H30O12 |
|---|---|
| Molecular Weight | 558.17 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 558.1737 |
| Heavy Atoms | 40 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 19879-03-9 |
|---|---|
| SMILES | CC1C(CCC(O1)OC2CC3C4=C(C2(C(O3)C)O)C(=O)C5=C(C6=C(C7C(CC(=O)O7)OC6C)C(=C5C4=O)O)O)O |
| InChIKey | BTPKXZZBYVSYNL-UHFFFAOYSA-N |
Product Overview
Granaticin B (CAS 19879-03-9), with molecular formula C28H30O12 and molecular weight 558.17 g/mol. IUPAC: 5,15,19-trihydroxy-23-(5-hydroxy-6-methyloxan-2-yl)oxy-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 B
Property Insights of Granaticin B
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Granaticin B. The TPSA of 178.0 Ų indicates high polarity, suggesting Granaticin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Granaticin B has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Granaticin B?
The CAS number of Granaticin B is 19879-03-9.
What is the molecular formula of Granaticin B?
The molecular formula of Granaticin B is C28H30O12.
What is the molecular weight of Granaticin B?
The molecular weight of Granaticin B is 558.17 g/mol.
Where can I buy Granaticin B?
You can request a quote for Granaticin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Granaticin B?
Yes, KEHONG BIO provides custom synthesis services for Granaticin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.