Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate
TL;DR: Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate (CAS 51666-81-0) is a chemical compound with molecular formula C20H19NO6S and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate
Also Known As: Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate, tri(ethoxycarbonyl)cyclopenta[b][1,4]benzothiazine, Triethyl cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate, triethyl cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylat, BENZO(B)CYCLOPENTA(E)(1,4)THIAZINE-1,2,3-TRICARBOXYLIC ACID, 1,2,3-TRIETHYL ESTER
| Molecular Formula | C20H19NO6S |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.09332 |
| Heavy Atoms | 28 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 51666-81-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=NC3=CC=CC=C3SC2=C1C(=O)OCC)C(=O)OCC |
| InChIKey | XRAOJMDRIJIJDZ-UHFFFAOYSA-N |
Product Overview
Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate (CAS 51666-81-0), with molecular formula C20H19NO6S and molecular weight 401.09 g/mol. IUPAC: triethyl cyclopenta[b][1,4]benzothiazine-1,2,3-tricarboxylate.
Chemical Property Profile of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate
Property Insights of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate
The XLogP value of 3.7 indicates that Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 8 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 Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate?
The CAS number of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate is 51666-81-0.
What is the molecular formula of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate?
The molecular formula of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate is C20H19NO6S.
What is the molecular weight of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate?
The molecular weight of Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate is 401.09 g/mol.
Where can I buy Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate?
You can request a quote for Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl cyclopenta(b)(1,4)benzothiazine-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.