![4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid structure](/static/products/3134/313498-79-2.webp)
4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid
TL;DR: 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid (CAS 313498-79-2) is a chemical compound with molecular formula C20H14N2O7S and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-(4-nitro-3-phenylmethoxyphenyl)sulfanylbenzoic acid
Also Known As: 3-((3-(benzyloxy)-4-nitrophenyl)thio)-4-nitrobenzoic acid, 4-nitro-3-(4-nitro-3-phenylmethoxyphenyl)sulfanylbenzoic acid, 4-nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid, 3-[[3-(BENZYLOXY)-4-NITROPHENYL]THIO]-4-NITROBENZOIC ACID, 4-nitro-3-(4-nitro-3-phenylmethoxy-phenyl)sulfanyl-benzoic Acid
| Molecular Formula | C20H14N2O7S |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 4.9314 |
| Topological Polar Surface Area | 132.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.0522 |
| Heavy Atoms | 30 |
| Complexity | 1119.3928 |
Chemical Identifiers
| CAS Number | 313498-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=CC(=C2)SC3=C(C=CC(=C3)C(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid (CAS 313498-79-2), with molecular formula C20H14N2O7S and molecular weight 426.05 g/mol. IUPAC: 4-nitro-3-(4-nitro-3-phenylmethoxyphenyl)sulfanylbenzoic acid.
Chemical Property Profile of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid
Property Insights of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid
The XLogP value of 4.9314 indicates that 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid. Following Lipinski's Rule of Five, 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid has 1 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 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid?
The CAS number of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid is 313498-79-2.
What is the molecular formula of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid?
The molecular formula of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid is C20H14N2O7S.
What is the molecular weight of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid?
The molecular weight of 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid is 426.05 g/mol.
Where can I buy 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid?
You can request a quote for 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-[4-nitro-3-(phenylmethoxy)phenylthio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.