![2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/6350/6350-80-7.webp)
2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 6350-80-7) is a chemical compound with molecular formula C17H14F12N2O2S and molecular weight 538.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C17H14F12N2O2S |
|---|---|
| Molecular Weight | 538.06 g/mol |
| LogP | 5.3519 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.0584 |
| Heavy Atoms | 34 |
| Complexity | 975.9521 |
Chemical Identifiers
| CAS Number | 6350-80-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 6350-80-7), with molecular formula C17H14F12N2O2S and molecular weight 538.06 g/mol. IUPAC: 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 5.3519 indicates that 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 6350-80-7.
What is the molecular formula of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C17H14F12N2O2S.
What is the molecular weight of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 538.06 g/mol.
Where can I buy 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.