![3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid structure](/static/products/409/40968-30-7.png)
3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid
TL;DR: 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid (CAS 40968-30-7) is a chemical compound with molecular formula C16H10N2O4S2 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(3-nitrothiophen-2-yl)thiophen-2-yl]methylideneamino]benzoic acid
Also Known As: 3-[[5-(3-nitrothiophen-2-yl)thiophen-2-yl]methylideneamino]benzoic Acid, (E)-3-(((3'-nitro-[2,2'-bithiophen]-5-yl)methylene)amino)benzoic acid, 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid
| Molecular Formula | C16H10N2O4S2 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.8336 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.0082 |
| Heavy Atoms | 24 |
| Complexity | 942.96783 |
Chemical Identifiers
| CAS Number | 40968-30-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=CC=C(S2)C3=C(C=CS3)[N+](=O)[O-])C(=O)O |
Product Overview
3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid (CAS 40968-30-7), with molecular formula C16H10N2O4S2 and molecular weight 358.01 g/mol. IUPAC: 3-[[5-(3-nitrothiophen-2-yl)thiophen-2-yl]methylideneamino]benzoic acid.
Chemical Property Profile of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid
Property Insights of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid
The XLogP value of 4.8336 indicates that 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid has 1 hydrogen bond donor(s) and 6 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 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid?
The CAS number of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid is 40968-30-7.
What is the molecular formula of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid?
The molecular formula of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid is C16H10N2O4S2.
What is the molecular weight of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid?
The molecular weight of 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid is 358.01 g/mol.
Where can I buy 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid?
You can request a quote for 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(3'-nitro-2,2'-bithiophen-5-yl)methylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.