linoleic acid 2-pyridylthiolester
TL;DR: linoleic acid 2-pyridylthiolester (CAS 104199-08-8) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,4aS,8aR)-7-methoxy-2,8a-dimethyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid
Also Known As: linoleic acid 2-pyridylthiolester, KST-1A0632, [(1r,4as,8ar)-7-methoxy-2,8a-dimethyl-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-2,8a-dimethyl-5,8-dioxo-, (1alpha,4abeta,8abeta)-, (7-Methoxy-2,8a-dimethyl-5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl)acetic acid
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 104199-08-8 |
|---|---|
| SMILES | CC1=CC[C@@H]2C(=O)C=C(C(=O)[C@@]2([C@@H]1CC(=O)O)C)OC |
| InChIKey | IRLUJRNAIJSVHC-FCHSOHFDSA-N |
Product Overview
linoleic acid 2-pyridylthiolester (CAS 104199-08-8), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 2-[(1R,4aS,8aR)-7-methoxy-2,8a-dimethyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]acetic acid.
Chemical Property Profile of linoleic acid 2-pyridylthiolester
Property Insights of linoleic acid 2-pyridylthiolester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for linoleic acid 2-pyridylthiolester. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for linoleic acid 2-pyridylthiolester. Following Lipinski's Rule of Five, linoleic acid 2-pyridylthiolester 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
Frequently Asked Questions
What is the CAS number of linoleic acid 2-pyridylthiolester?
The CAS number of linoleic acid 2-pyridylthiolester is 104199-08-8.
What is the molecular formula of linoleic acid 2-pyridylthiolester?
The molecular formula of linoleic acid 2-pyridylthiolester is C15H18O5.
What is the molecular weight of linoleic acid 2-pyridylthiolester?
The molecular weight of linoleic acid 2-pyridylthiolester is 278.12 g/mol.
Where can I buy linoleic acid 2-pyridylthiolester?
You can request a quote for linoleic acid 2-pyridylthiolester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for linoleic acid 2-pyridylthiolester?
Yes, KEHONG BIO provides custom synthesis services for linoleic acid 2-pyridylthiolester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.