Frangulin B
TL;DR: Frangulin B (CAS 14101-04-3) is a chemical compound with molecular formula C20H18O9 and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
Also Known As: Frangulin B, FRANGULIN B [MI], EINECS 237-953-9, HY-N7316, SID:463798069
| Molecular Formula | C20H18O9 |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0951 |
| Heavy Atoms | 29 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 14101-04-3 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O |
| InChIKey | AEQMIFRODRFTJF-SLFFLAALSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Frangulin B (CAS 14101-04-3), with molecular formula C20H18O9 and molecular weight 402.10 g/mol. IUPAC: 3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione.
Chemical Property Profile of Frangulin B
Property Insights of Frangulin B
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Frangulin B. The TPSA of 154.0 Ų indicates high polarity, suggesting Frangulin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Frangulin B has 5 hydrogen bond donor(s) and 9 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 Frangulin B?
The CAS number of Frangulin B is 14101-04-3.
What is the molecular formula of Frangulin B?
The molecular formula of Frangulin B is C20H18O9.
What is the molecular weight of Frangulin B?
The molecular weight of Frangulin B is 402.10 g/mol.
Where can I buy Frangulin B?
You can request a quote for Frangulin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Frangulin B?
Yes, KEHONG BIO provides custom synthesis services for Frangulin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.