Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate
TL;DR: Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate (CAS 73824-26-7) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
Also Known As: methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate, methyl (1,3-benzoxazol-2-ylsulfanyl)acetate, Acetic acid, (2-benzoxazolylthio)-, methyl ester, methyl 2-(benzo[d]oxazol-2-ylthio)acetate, J1.413.394A
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.0929 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 447.22717 |
Chemical Identifiers
| CAS Number | 73824-26-7 |
|---|---|
| SMILES | COC(=O)CSC1=NC2=CC=CC=C2O1 |
Product Overview
Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate (CAS 73824-26-7), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate.
Chemical Property Profile of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate
Property Insights of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate
The XLogP value of 2.0929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate 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 Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The CAS number of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate is 73824-26-7.
What is the molecular formula of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The molecular formula of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate is C10H9NO3S.
What is the molecular weight of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The molecular weight of Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate is 223.03 g/mol.
Where can I buy Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
You can request a quote for Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,3-benzoxazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.