4a,4,9,10-tetrone, 12-methoxy-
TL;DR: 4a,4,9,10-tetrone, 12-methoxy- (CAS 58976-85-5) is a chemical compound with molecular formula C19H14O5 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3,5,7,12,16-pentaene-2,9,11,14-tetrone
Also Known As: 4a,4,9,10-tetrone, 12-methoxy-, 12-Methoxy-4a,9a-but[2]enoanthracene-1,4,9,10-tetrone, 16-Methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3,5,7,12,16-pentaene-2,9,11,14-tetrone
| Molecular Formula | C19H14O5 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.08414 |
| Heavy Atoms | 24 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 58976-85-5 |
|---|---|
| SMILES | COC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | KVBXFYXRVAOCTA-UHFFFAOYSA-N |
Product Overview
4a,4,9,10-tetrone, 12-methoxy- (CAS 58976-85-5), with molecular formula C19H14O5 and molecular weight 322.08 g/mol. IUPAC: 16-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3,5,7,12,16-pentaene-2,9,11,14-tetrone.
Chemical Property Profile of 4a,4,9,10-tetrone, 12-methoxy-
Property Insights of 4a,4,9,10-tetrone, 12-methoxy-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,4,9,10-tetrone, 12-methoxy-. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,4,9,10-tetrone, 12-methoxy-. Following Lipinski's Rule of Five, 4a,4,9,10-tetrone, 12-methoxy- has 0 hydrogen bond donor(s) and 5 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 4a,4,9,10-tetrone, 12-methoxy-?
The CAS number of 4a,4,9,10-tetrone, 12-methoxy- is 58976-85-5.
What is the molecular formula of 4a,4,9,10-tetrone, 12-methoxy-?
The molecular formula of 4a,4,9,10-tetrone, 12-methoxy- is C19H14O5.
What is the molecular weight of 4a,4,9,10-tetrone, 12-methoxy-?
The molecular weight of 4a,4,9,10-tetrone, 12-methoxy- is 322.08 g/mol.
Where can I buy 4a,4,9,10-tetrone, 12-methoxy-?
You can request a quote for 4a,4,9,10-tetrone, 12-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,4,9,10-tetrone, 12-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 4a,4,9,10-tetrone, 12-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.