![Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- structure](/static/products/1320/132067-77-7.webp)
Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-
TL;DR: Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- (CAS 132067-77-7) is a chemical compound with molecular formula C16H9NO6S and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-2-oxochromen-4-yl)sulfanylbenzoic acid
Also Known As: Benzamide,N-3-cyclopenten-1-yl, 3-nitro-4-(o-carboxyphenylthio)coumarin, 2-(3-nitro-2-oxochromen-4-yl)sulfanylbenzoic acid, Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-, 2-(3-nitro-2-oxo-chromen-4-yl)sulfanylbenzoic Acid
| Molecular Formula | C16H9NO6S |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 3.5506 |
| Topological Polar Surface Area | 110.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.01505 |
| Heavy Atoms | 24 |
| Complexity | 1026.4966 |
Chemical Identifiers
| CAS Number | 132067-77-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O |
Product Overview
Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- (CAS 132067-77-7), with molecular formula C16H9NO6S and molecular weight 343.02 g/mol. IUPAC: 2-(3-nitro-2-oxochromen-4-yl)sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-
Property Insights of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-
The XLogP value of 3.5506 indicates that Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-. Following Lipinski's Rule of Five, Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- 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 Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-?
The CAS number of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- is 132067-77-7.
What is the molecular formula of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-?
The molecular formula of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- is C16H9NO6S.
What is the molecular weight of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-?
The molecular weight of Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- is 343.02 g/mol.
Where can I buy Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-?
You can request a quote for Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(3-nitro-2-oxo-2H-1-benzopyran-4-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.