![1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid structure](/static/products/897/897776-18-0.png)
1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid
TL;DR: 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid (CAS 897776-18-0) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid
Also Known As: ChemDiv3_012880, 1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid, 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid, BRD-K96301333-001-01-8, dibenzo[b,f][1,4]thiazepine-8-carboxylic acid, 1,4,11-trimethyl-
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.60694 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 793.6174 |
Chemical Identifiers
| CAS Number | 897776-18-0 |
|---|---|
| SMILES | CC1=C2C(=NC3=C(C=CC(=C3)C(=O)O)SC2=C(C=C1)C)C |
Product Overview
1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid (CAS 897776-18-0), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid.
Chemical Property Profile of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Property Insights of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid
The XLogP value of 4.60694 indicates that 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.66 Ų, 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid?
The CAS number of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid is 897776-18-0.
What is the molecular formula of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid?
The molecular formula of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid is C17H15NO2S.
What is the molecular weight of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid?
The molecular weight of 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid is 297.08 g/mol.
Where can I buy 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid?
You can request a quote for 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,11-Trimethyldibenzo[b,f][1,4]thiazepine-8-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.