5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-
TL;DR: 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- (CAS 58976-86-6) is a chemical compound with molecular formula C26H22O8 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19-acetyloxy-2,9,11,18-tetraoxo-4-pentacyclo[8.8.4.01,10.03,8.012,17]docosa-5,12,14,16,20-pentaenyl) acetate
Also Known As: 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-, (19-Acetyloxy-2,9,11,18-tetraoxo-4-pentacyclo[8.8.4.01,10.03,8.012,17]docosa-5,12,14,16,20-pentaenyl) acetate, 5,6,11,12-Tetraoxo-1,4,4a,5,6,11,12,12a-octahydro-5a,11a-but[2]enotetracene-1,13-diyl diacetate
| Molecular Formula | C26H22O8 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.13147 |
| Heavy Atoms | 34 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 58976-86-6 |
|---|---|
| SMILES | CC(=O)OC1C=CCC2C1C(=O)C34C(C=CCC3(C2=O)C(=O)C5=CC=CC=C5C4=O)OC(=O)C |
| InChIKey | PJFMTJTYBOJNOI-UHFFFAOYSA-N |
Product Overview
5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- (CAS 58976-86-6), with molecular formula C26H22O8 and molecular weight 462.13 g/mol. IUPAC: (19-acetyloxy-2,9,11,18-tetraoxo-4-pentacyclo[8.8.4.01,10.03,8.012,17]docosa-5,12,14,16,20-pentaenyl) acetate.
Chemical Property Profile of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-
Property Insights of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-. Following Lipinski's Rule of Five, 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- has 0 hydrogen bond donor(s) and 8 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 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-?
The CAS number of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- is 58976-86-6.
What is the molecular formula of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-?
The molecular formula of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- is C26H22O8.
What is the molecular weight of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-?
The molecular weight of 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- is 462.13 g/mol.
Where can I buy 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-?
You can request a quote for 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 5a,6,11,12-tetrone, 1,13-bis(acetyloxy)-1,4,4a,12a-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.