KST-1A0645
TL;DR: KST-1A0645 (CAS 104199-27-1) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R,4aS,8S,8aS)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
Also Known As: KST-1A0645, [(1r,4as,8s,8as)-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,7,8,8a-hexahydro-8-hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-, (1alpha,4aalpha,8beta,8abeta)-, ((1R,4aS,8S,8aS)-8-Hydroxy-8a-methoxymethyl-2,5-dimethyl-7-oxo-1,4,4a,7,8,8a-hexahydro-naphthalen-1-yl)-acetic acid, [8-Hydroxy-8a-(methoxymethyl)-2,5-dimethyl-7-oxo-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
Technical Specifications
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.14673 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.14673 Da |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
| SMILES | CC1=CC[C@H]2C(=CC(=O)[C@H]([C@@]2([C@@H]1CC(=O)O)COC)O)C |
| InChIKey | DXXRISCMUYHEOF-OJDYBEQGSA-N |
Chemical Property Profile of KST-1A0645
Property Insights of KST-1A0645
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0645. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0645. Following Lipinski's Rule of Five, KST-1A0645 has 2 hydrogen bond donor(s) and 5 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-1A0645?
The CAS number of KST-1A0645 is 104199-27-1.
What is the molecular formula of KST-1A0645?
The molecular formula of KST-1A0645 is C16H22O5.
What is the molecular weight of KST-1A0645?
The molecular weight of KST-1A0645 is 294.14673 g/mol.
Where can I buy KST-1A0645?
You can request a quote for KST-1A0645 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KST-1A0645?
Yes, CoreyChem provides custom synthesis services for KST-1A0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.