4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate
TL;DR: 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate (CAS 667885-66-7) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate
Also Known As: AO-548/40804394, 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate, (4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.94842 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 870.0191 |
Chemical Identifiers
| CAS Number | 667885-66-7 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)N3C=CN=C3 |
Product Overview
4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate (CAS 667885-66-7), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: (4-imidazol-1-ylphenyl) 2-methylbenzenesulfonate.
Chemical Property Profile of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate
Property Insights of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate
The XLogP value of 2.94842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate has 0 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 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate?
The CAS number of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate is 667885-66-7.
What is the molecular formula of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate?
The molecular formula of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate is C16H14N2O3S.
What is the molecular weight of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate?
The molecular weight of 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate is 314.07 g/mol.
Where can I buy 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate?
You can request a quote for 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-imidazol-1-yl)phenyl 2-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.