2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate
TL;DR: 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate (CAS 313498-47-4) is a chemical compound with molecular formula C11H10N2O6S and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate
Also Known As: 2-methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate, 2-methoxyethyl 6-nitro-2-thioxo-1,3-benzoxazole-3(2H)-carboxylate, 2-methoxyethyl 6-nitro-2-thioxo-3-hydrobenzoxazole-3-carboxylate, 2-methoxyethyl 6-nitro-2-thioxobenzo[d]oxazole-3(2H)-carboxylate
| Molecular Formula | C11H10N2O6S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 2.50309 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.02597 |
| Heavy Atoms | 20 |
| Complexity | 719.2619 |
Chemical Identifiers
| CAS Number | 313498-47-4 |
|---|---|
| SMILES | COCCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=S |
Product Overview
2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate (CAS 313498-47-4), with molecular formula C11H10N2O6S and molecular weight 298.03 g/mol. IUPAC: 2-methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate
Property Insights of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate
The XLogP value of 2.50309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate. Following Lipinski's Rule of Five, 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate?
The CAS number of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate is 313498-47-4.
What is the molecular formula of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate?
The molecular formula of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate is C11H10N2O6S.
What is the molecular weight of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate?
The molecular weight of 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate is 298.03 g/mol.
Where can I buy 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate?
You can request a quote for 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 6-nitro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.