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[(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid
TL;DR: [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid (CAS 708983-69-1) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetic acid
Also Known As: [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid|2-(1-methylimidazol-2-ylthio)-2-phenylacetic acid|AR-299/42656404|2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetic acid|2-((1-Methyl-1H-imidazol-2-yl)thio)-2-phenylacetic acid|2-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-2-PHENYLACETIC ACID|MLS001179413|SMR000477888
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.3381 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 510.234 |
Chemical Identifiers
| CAS Number | 708983-69-1 |
|---|---|
| SMILES | CN1C=CN=C1SC(C2=CC=CC=C2)C(=O)O |
Product Overview
[(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid (CAS 708983-69-1), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid
Property Insights of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid
The XLogP value of 2.3381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid has 1 hydrogen bond donor(s) and 3 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 [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid?
The CAS number of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid is 708983-69-1.
What is the molecular formula of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid?
The molecular formula of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid is C12H12N2O2S.
What is the molecular weight of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid?
The molecular weight of [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid is 248.06 g/mol.
Where can I buy [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid?
You can request a quote for [(1-methyl-1H-imidazol-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 [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-methyl-1H-imidazol-2-yl)sulfanyl](phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.