![Benzo[b]thiepin-1,1-dioxid structure](/static/products/418/41887-96-1.png)
Benzo[b]thiepin-1,1-dioxid
TL;DR: Benzo[b]thiepin-1,1-dioxid (CAS 41887-96-1) is a chemical compound with molecular formula C22H14N4O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(1H-benzimidazol-2-yl)terephthalic acid
Also Known As: Benzo[b]thiepin-1,1-dioxid, 2,5-bis(1H-benzimidazol-2-yl)terephthalic acid, 2,5-bis(1H-benzoimidazol-2-yl)terephthalic Acid, 1,4-Benzenedicarboxylic acid, 2,5-bis(1H-benzimidazol-2-yl)-, 2,5-Bis(1H-1,3-benzimidazol-2-yl)benzene-1,4-dicarboxylic acid
| Molecular Formula | C22H14N4O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.1696 |
| Topological Polar Surface Area | 131.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1015 |
| Heavy Atoms | 30 |
| Complexity | 1287.1052 |
Chemical Identifiers
| CAS Number | 41887-96-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C=C3C(=O)O)C4=NC5=CC=CC=C5N4)C(=O)O |
Product Overview
Benzo[b]thiepin-1,1-dioxid (CAS 41887-96-1), with molecular formula C22H14N4O4 and molecular weight 398.10 g/mol. IUPAC: 2,5-bis(1H-benzimidazol-2-yl)terephthalic acid.
Chemical Property Profile of Benzo[b]thiepin-1,1-dioxid
Property Insights of Benzo[b]thiepin-1,1-dioxid
The XLogP value of 4.1696 indicates that Benzo[b]thiepin-1,1-dioxid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiepin-1,1-dioxid. Following Lipinski's Rule of Five, Benzo[b]thiepin-1,1-dioxid has 4 hydrogen bond donor(s) and 4 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 Benzo[b]thiepin-1,1-dioxid?
The CAS number of Benzo[b]thiepin-1,1-dioxid is 41887-96-1.
What is the molecular formula of Benzo[b]thiepin-1,1-dioxid?
The molecular formula of Benzo[b]thiepin-1,1-dioxid is C22H14N4O4.
What is the molecular weight of Benzo[b]thiepin-1,1-dioxid?
The molecular weight of Benzo[b]thiepin-1,1-dioxid is 398.10 g/mol.
Where can I buy Benzo[b]thiepin-1,1-dioxid?
You can request a quote for Benzo[b]thiepin-1,1-dioxid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiepin-1,1-dioxid?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiepin-1,1-dioxid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.