KST-1A0647
TL;DR: KST-1A0647 (CAS 113811-43-1) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R,4aS,8aR)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Also Known As: KST-1A0647, [(1r,4as,8ar)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-, (1alpha,4abeta,8abeta)-, 2-[(1R,4aS,8aR)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid, 1-Naphthaleneaceticacid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-,(1a,4ab,8ab)- (9CI)
Technical Specifications
| Molecular Formula | C16H20O6 |
| Molecular Weight | 308.12598 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.12598 Da |
| Heavy Atoms | 22 |
| Complexity | 573.0 |
| SMILES | CC1=CC[C@@H]2C(=O)C=C(C(=O)[C@@]2([C@@H]1CC(=O)O)COC)OC |
| InChIKey | MCOGXVHZWOOVND-UVWXRNBGSA-N |
Chemical Property Profile of KST-1A0647
Property Insights of KST-1A0647
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0647. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0647. Following Lipinski's Rule of Five, KST-1A0647 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of KST-1A0647?
The CAS number of KST-1A0647 is 113811-43-1.
What is the molecular formula of KST-1A0647?
The molecular formula of KST-1A0647 is C16H20O6.
What is the molecular weight of KST-1A0647?
The molecular weight of KST-1A0647 is 308.12598 g/mol.
Where can I buy KST-1A0647?
You can request a quote for KST-1A0647 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KST-1A0647?
Yes, CoreyChem provides custom synthesis services for KST-1A0647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.