![tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate structure](/static/products/1774/1774-78-3.webp)
tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
TL;DR: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate (CAS 1774-78-3) is a chemical compound with molecular formula C21H21NO8S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
Also Known As: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate, tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothi
| Molecular Formula | C21H21NO8S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.0988 |
| Heavy Atoms | 31 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 1774-78-3 |
|---|---|
| SMILES | CC1=C2N(C(C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C3=CC=CC=C3S2 |
| InChIKey | JZJYNCASQOVNOP-UHFFFAOYSA-N |
Product Overview
tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate (CAS 1774-78-3), with molecular formula C21H21NO8S and molecular weight 447.10 g/mol. IUPAC: tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate.
Chemical Property Profile of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
Property Insights of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate. Following Lipinski's Rule of Five, tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate has 0 hydrogen bond donor(s) and 10 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 tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate?
The CAS number of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate is 1774-78-3.
What is the molecular formula of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate?
The molecular formula of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate is C21H21NO8S.
What is the molecular weight of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate?
The molecular weight of tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate is 447.10 g/mol.
Where can I buy tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate?
You can request a quote for tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate?
Yes, KEHONG BIO provides custom synthesis services for tetramethyl 6-methyl-9,10-dihydroazepino[2,1-b][1,3]benzothiazole-7,8,9,10-tetracarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.