5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
TL;DR: 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CAS 749906-98-7) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Also Known As: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide, 5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide, 995-284-4, RefChem:537875
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.5026 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 431.11813 |
Chemical Identifiers
| CAS Number | 749906-98-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NN |
Product Overview
5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CAS 749906-98-7), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
Chemical Property Profile of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Property Insights of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
The XLogP value of 2.5026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide. With a topological polar surface area (TPSA) of 55.12 Ų, 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-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 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The CAS number of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is 749906-98-7.
What is the molecular formula of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The molecular formula of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is C13H20N2OS.
What is the molecular weight of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The molecular weight of 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is 252.13 g/mol.
Where can I buy 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
You can request a quote for 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.