KST-1A0631
TL;DR: KST-1A0631 (CAS 104199-07-7) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R,4aS,8aR)-7-methoxy-8a-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Also Known As: KST-1A0631, N-(5,9-Dihydroxybenzo(a)pyren-4-yl)acetamide, 4-(N-Acetylamino)benzo(a)pyrene-5,9-hydroquinone, Acetamide, N-(5,9-dihydroxybenzo(a)pyren-4-yl)-, [(1r,4as,8ar)-7-methoxy-8a-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
Technical Specifications
| Molecular Formula | C14H16O5 |
| Molecular Weight | 264.09976 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.09976 Da |
| Heavy Atoms | 19 |
| Complexity | 502.0 |
| SMILES | C[C@]12[C@H](CC=C[C@H]1CC(=O)O)C(=O)C=C(C2=O)OC |
| InChIKey | RICGRVKVEBJEKK-ATEUNZGCSA-N |
Chemical Property Profile of KST-1A0631
Property Insights of KST-1A0631
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0631. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0631. Following Lipinski's Rule of Five, KST-1A0631 has 1 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-1A0631?
The CAS number of KST-1A0631 is 104199-07-7.
What is the molecular formula of KST-1A0631?
The molecular formula of KST-1A0631 is C14H16O5.
What is the molecular weight of KST-1A0631?
The molecular weight of KST-1A0631 is 264.09976 g/mol.
Where can I buy KST-1A0631?
You can request a quote for KST-1A0631 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for KST-1A0631?
Yes, CoreyChem provides custom synthesis services for KST-1A0631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.