methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate
TL;DR: methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate (CAS 66155-33-7) is a chemical compound with molecular formula C13H13NO4S and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate
Also Known As: methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-, methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate, methyl (8E)-8-(methoxycarbonylmethylidene)-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-triene-9-carboxylate
| Molecular Formula | C13H13NO4S |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.05652 |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 66155-33-7 |
|---|---|
| SMILES | COC(=O)C=C1C(SC2=CC=CC=C2N1)C(=O)OC |
| InChIKey | NWGYCRMBUOLTKI-UHFFFAOYSA-N |
Product Overview
methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate (CAS 66155-33-7), with molecular formula C13H13NO4S and molecular weight 279.06 g/mol. IUPAC: methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate
Property Insights of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate?
The CAS number of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate is 66155-33-7.
What is the molecular formula of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate?
The molecular formula of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate is C13H13NO4S.
What is the molecular weight of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate?
The molecular weight of methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate is 279.06 g/mol.
Where can I buy methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate?
You can request a quote for methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-methoxy-2-oxoethylidene)-4H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.