BAS 00924219
TL;DR: BAS 00924219 (CAS 313248-74-7) is a chemical compound with molecular formula C17H22N6O4S and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00924219, 6-tert-butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-(tert-butyl)-2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-(TERT-BUTYL)-2-{[2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C17H22N6O4S |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 2.1364 |
| Topological Polar Surface Area | 146.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14233 |
| Heavy Atoms | 28 |
| Complexity | 942.0848 |
Chemical Identifiers
| CAS Number | 313248-74-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
BAS 00924219 (CAS 313248-74-7), with molecular formula C17H22N6O4S and molecular weight 406.14 g/mol. IUPAC: 6-tert-butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of BAS 00924219
Property Insights of BAS 00924219
The XLogP value of 2.1364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00924219. The TPSA of 146.04 Ų indicates high polarity, suggesting BAS 00924219 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00924219 has 2 hydrogen bond donor(s) and 7 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 BAS 00924219?
The CAS number of BAS 00924219 is 313248-74-7.
What is the molecular formula of BAS 00924219?
The molecular formula of BAS 00924219 is C17H22N6O4S.
What is the molecular weight of BAS 00924219?
The molecular weight of BAS 00924219 is 406.14 g/mol.
Where can I buy BAS 00924219?
You can request a quote for BAS 00924219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924219?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.