Saquayamycin C
TL;DR: Saquayamycin C (CAS 6316-03-6) is a chemical compound with molecular formula C43H52O16 and molecular weight 824.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Also Known As: Saquayamycin C, KST-1A9440, 1,5-anhydro-2,6-dideoxy-4-o-(6-methyl-5-oxotetrahydro-2h-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxotetrahydro-2h-pyran-2-yl)oxy]tetrahydro-2h-pyran-2-yl}oxy)-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]hexitol, 4a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,5-Anhydro-2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}oxy)-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]hexitol
| Molecular Formula | C43H52O16 |
|---|---|
| Molecular Weight | 824.33 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 824.32556 |
| Heavy Atoms | 59 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 6316-03-6 |
|---|---|
| SMILES | CC1C(CCC(O1)OC2(CC(=O)C3(C4=C(C=CC3(C2)O)C(=O)C5=C(C4=O)C=CC(=C5O)C6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)O)C)OC8CCC(=O)C(O8)C |
| InChIKey | ZZMJFSJLXYPOKS-UHFFFAOYSA-N |
Product Overview
Saquayamycin C (CAS 6316-03-6), with molecular formula C43H52O16 and molecular weight 824.33 g/mol. IUPAC: 4a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]-3-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Saquayamycin C
Property Insights of Saquayamycin C
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Saquayamycin C. The TPSA of 231.0 Ų indicates high polarity, suggesting Saquayamycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saquayamycin C has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Saquayamycin C?
The CAS number of Saquayamycin C is 6316-03-6.
What is the molecular formula of Saquayamycin C?
The molecular formula of Saquayamycin C is C43H52O16.
What is the molecular weight of Saquayamycin C?
The molecular weight of Saquayamycin C is 824.33 g/mol.
Where can I buy Saquayamycin C?
You can request a quote for Saquayamycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Saquayamycin C?
Yes, KEHONG BIO provides custom synthesis services for Saquayamycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.