![2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/6943/69438-21-7.webp)
2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 69438-21-7) is a chemical compound with molecular formula C16H14N4O6S and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 00568215, UPCMLD0ENAT0507-4453:001, 2-(3,5-dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, F0016-0641, 2-(3,5-DINITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C16H14N4O6S |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 2.7945 |
| Topological Polar Surface Area | 158.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.06342 |
| Heavy Atoms | 27 |
| Complexity | 951.2804 |
Chemical Identifiers
| CAS Number | 69438-21-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N |
Product Overview
2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 69438-21-7), with molecular formula C16H14N4O6S and molecular weight 390.06 g/mol. IUPAC: 2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 2.7945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. The TPSA of 158.47 Ų indicates high polarity, suggesting 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 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 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 69438-21-7.
What is the molecular formula of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C16H14N4O6S.
What is the molecular weight of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 390.06 g/mol.
Where can I buy 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.