KST-1A0635
TL;DR: KST-1A0635 (CAS 1136-75-0) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aR,8aR)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Also Known As: KST-1A0635, [(1r,4ar,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,4aR,8aR)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid, [7-Methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 1136-75-0 |
|---|---|
| SMILES | CC1=CC[C@H]2C(=O)C=C(C(=O)[C@@]2([C@@H]1CC(=O)O)COC)OC |
| InChIKey | MCOGXVHZWOOVND-USBNGQNGSA-N |
Product Overview
KST-1A0635 (CAS 1136-75-0), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: 2-[(1R,4aR,8aR)-7-methoxy-8a-(methoxymethyl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid.
Chemical Property Profile of KST-1A0635
Property Insights of KST-1A0635
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0635. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0635. Following Lipinski's Rule of Five, KST-1A0635 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
Frequently Asked Questions
What is the CAS number of KST-1A0635?
The CAS number of KST-1A0635 is 1136-75-0.
What is the molecular formula of KST-1A0635?
The molecular formula of KST-1A0635 is C16H20O6.
What is the molecular weight of KST-1A0635?
The molecular weight of KST-1A0635 is 308.13 g/mol.
Where can I buy KST-1A0635?
You can request a quote for KST-1A0635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0635?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.