![Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- structure](/static/products/3996/3996-28-9.webp)
Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-
TL;DR: Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- (CAS 3996-28-9) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-nitrophenyl)methylideneamino]benzoic acid
Also Known As: 4-[(3-nitrophenyl)methylideneamino]benzoic acid, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]benzoic acid, 4-{(E)-[(3-Nitrophenyl)methylidene]amino}benzoic acid, 4-{[(E)-(3-nitrophenyl)methylidene]amino}benzoic acid, BENZOIC ACID,4-[[(3-NITROPHENYL)METHYLENE]AMINO]-
| Molecular Formula | C14H10N2O4 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06406 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 3996-28-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | YMWVVSQLJBOUKA-UHFFFAOYSA-N |
Product Overview
Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- (CAS 3996-28-9), with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol. IUPAC: 4-[(3-nitrophenyl)methylideneamino]benzoic acid.
Chemical Property Profile of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-
Property Insights of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-. Following Lipinski's Rule of Five, Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- has 1 hydrogen bond donor(s) and 5 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 Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-?
The CAS number of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- is 3996-28-9.
What is the molecular formula of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-?
The molecular formula of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- is C14H10N2O4.
What is the molecular weight of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-?
The molecular weight of Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- is 270.06 g/mol.
Where can I buy Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-?
You can request a quote for Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-[[(3-nitrophenyl)methylene]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.