4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide
TL;DR: 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide (CAS 876716-01-7) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Also Known As: Peradoxime, 4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide, 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbohydrazide, 3939AD, Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-, hydrazide
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 876716-01-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CS2)C(=O)NN |
| InChIKey | SHYMUMWHHNFTDH-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide (CAS 876716-01-7), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: 4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide.
Chemical Property Profile of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide
Property Insights of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide has 2 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 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide?
The CAS number of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide is 876716-01-7.
What is the molecular formula of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide?
The molecular formula of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide is C9H12N2OS.
What is the molecular weight of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide?
The molecular weight of 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide is 196.07 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide?
You can request a quote for 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-1-benzothiophene-3-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.