InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H
TL;DR: InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H (CAS 124901-35-5) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate
Also Known As: ethyl 5-methyl-2-(methylthio)oxazole-4-carboxylate, Ethyl 5-methyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate, InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.88162 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 308.33783 |
Chemical Identifiers
| CAS Number | 124901-35-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=N1)SC)C |
Product Overview
InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H (CAS 124901-35-5), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: ethyl 5-methyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate.
Chemical Property Profile of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H
Property Insights of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H
The XLogP value of 1.88162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H. With a topological polar surface area (TPSA) of 52.33 Ų, InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H has 0 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 InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H?
The CAS number of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H is 124901-35-5.
What is the molecular formula of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H?
The molecular formula of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H is C8H11NO3S.
What is the molecular weight of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H?
The molecular weight of InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H is 201.05 g/mol.
Where can I buy InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H?
You can request a quote for InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C8H11NO3S/c1-4-11-7(10)6-5(2)12-8(9-6)13-3/h4H2,1-3H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.