Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate
TL;DR: Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate (CAS 83990-18-5) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate
Also Known As: methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate, methyl 5-mercapto-2-phenyloxazole-4-carboxylate, methyl 5-mercapto-2-phenyl-1,3-oxazole-4-carboxylate
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 2.4169 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 507.20316 |
Chemical Identifiers
| CAS Number | 83990-18-5 |
|---|---|
| SMILES | COC(=O)C1=C(OC(=N1)C2=CC=CC=C2)S |
Product Overview
Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate (CAS 83990-18-5), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate
Property Insights of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate
The XLogP value of 2.4169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate 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 Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate?
The CAS number of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate is 83990-18-5.
What is the molecular formula of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate?
The molecular formula of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate is C11H9NO3S.
What is the molecular weight of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate?
The molecular weight of Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate is 235.03 g/mol.
Where can I buy Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate?
You can request a quote for Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenyl-5-sulfanyl-1,3-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.