Resistoflavine
TL;DR: Resistoflavine (CAS 29706-96-5) is a chemical compound with molecular formula C22H16O7 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,12,14,17-tetrahydroxy-4,9,9-trimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),7,11,13,15-heptaene-6,10,19-trione
Also Known As: Resistoflavine, Resistoflavin, J2.230.137C, 2H-Benzo[cd]pyrene-2,6,10(1H,11bH)-trione, 3,5,7,11b-tetrahydroxy-1,1,9-trimethyl-, (-)-, (-)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo(cd)pyrene-2,6,10(1H,11bH)-trione
| Molecular Formula | C22H16O7 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 392.0896 |
| Heavy Atoms | 29 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 29706-96-5 |
|---|---|
| SMILES | CC1=CC(=C2C3=C1C(=O)C=C4C3(C5=C(C2=O)C(=CC(=C5C(=O)C4(C)C)O)O)O)O |
| InChIKey | FRXZTKQCZPGFDX-UHFFFAOYSA-N |
Product Overview
Resistoflavine (CAS 29706-96-5), with molecular formula C22H16O7 and molecular weight 392.09 g/mol. IUPAC: 2,12,14,17-tetrahydroxy-4,9,9-trimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),7,11,13,15-heptaene-6,10,19-trione.
Chemical Property Profile of Resistoflavine
Property Insights of Resistoflavine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Resistoflavine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Resistoflavine. Following Lipinski's Rule of Five, Resistoflavine has 4 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 Resistoflavine?
The CAS number of Resistoflavine is 29706-96-5.
What is the molecular formula of Resistoflavine?
The molecular formula of Resistoflavine is C22H16O7.
What is the molecular weight of Resistoflavine?
The molecular weight of Resistoflavine is 392.09 g/mol.
Where can I buy Resistoflavine?
You can request a quote for Resistoflavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Resistoflavine?
Yes, KEHONG BIO provides custom synthesis services for Resistoflavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.