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Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-
TL;DR: Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- (CAS 208171-72-6) is a chemical compound with molecular formula C14H11NO5S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: 2,2':5',2''-Terthiophene,3'-ethynyl, Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-, 4-(4-methoxyphenyl)sulfanyl-3-nitrobenzoic acid, 4-(4-methoxyphenylthio)-3-nitrobenzoic acid, 4-(4-methoxyphenyl)sulfanyl-3-nitro-benzoic Acid
| Molecular Formula | C14H11NO5S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 3.4528 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0358 |
| Heavy Atoms | 21 |
| Complexity | 684.2638 |
Chemical Identifiers
| CAS Number | 208171-72-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- (CAS 208171-72-6), with molecular formula C14H11NO5S and molecular weight 305.04 g/mol. IUPAC: 4-(4-methoxyphenyl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-
Property Insights of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-
The XLogP value of 3.4528 indicates that Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- 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-[(4-methoxyphenyl)thio]-3-nitro-?
The CAS number of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- is 208171-72-6.
What is the molecular formula of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-?
The molecular formula of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- is C14H11NO5S.
What is the molecular weight of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-?
The molecular weight of Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- is 305.04 g/mol.
Where can I buy Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro-?
You can request a quote for Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- 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-[(4-methoxyphenyl)thio]-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(4-methoxyphenyl)thio]-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.