4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
TL;DR: 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione (CAS 7405-25-6) is a chemical compound with molecular formula C10H9NO4S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,3-dihydro-1λ6-benzothiepine 1,1-dioxide
Also Known As: 4-nitro-2,3-dihydro-1, 4-nitro-2,3-dihydro-1-benzothiepine 1,1-dioxide, 4-nitro-2,3-dihydro-benzo[b]thiepine 1,1-dioxide, 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
| Molecular Formula | C10H9NO4S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.02522 |
| Heavy Atoms | 16 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 7405-25-6 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C=C1[N+](=O)[O-] |
| InChIKey | NGLSLFNQPLMPLL-UHFFFAOYSA-N |
Product Overview
4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione (CAS 7405-25-6), with molecular formula C10H9NO4S and molecular weight 239.03 g/mol. IUPAC: 4-nitro-2,3-dihydro-1λ6-benzothiepine 1,1-dioxide.
Chemical Property Profile of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
Property Insights of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione. Following Lipinski's Rule of Five, 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione has 0 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 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The CAS number of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is 7405-25-6.
What is the molecular formula of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular formula of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is C10H9NO4S.
What is the molecular weight of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular weight of 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is 239.03 g/mol.
Where can I buy 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
You can request a quote for 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.