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[(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid
TL;DR: [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid (CAS 445266-81-9) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
Also Known As: [(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid|2-((3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)thio)-2-phenylacetic acid|(3-Cyano-5-ethyl-4,6-dimethyl-pyridin-2-ylsulfanyl)-phenyl-acetic acid|2-(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl-2-phenylacetic acid|SMR000219155|MLS000590787
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.05052 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 766.8264 |
Chemical Identifiers
| CAS Number | 445266-81-9 |
|---|---|
| SMILES | CCC1=C(C(=C(N=C1C)SC(C2=CC=CC=C2)C(=O)O)C#N)C |
Product Overview
[(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid (CAS 445266-81-9), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid.
Chemical Property Profile of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid
Property Insights of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid
The XLogP value of 4.05052 indicates that [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid. Following Lipinski's Rule of Five, [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid has 1 hydrogen bond donor(s) and 4 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 [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid?
The CAS number of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid is 445266-81-9.
What is the molecular formula of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid?
The molecular formula of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid is C18H18N2O2S.
What is the molecular weight of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid?
The molecular weight of [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid is 326.11 g/mol.
Where can I buy [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid?
You can request a quote for [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-Cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl](phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.