5-硝基-2-噻吩甲酸
TL;DR: 5-硝基-2-噻吩甲酸 (CAS 6317-37-9) is a chemical compound with molecular formula C5H3NO4S and molecular weight 172.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2-噻吩甲酸
5-nitrothiophene-2-carboxylic acid
Also Known As: 5-Nitrothiophene-2-carboxylic acid, 5-Nitro-2-thiophenecarboxylic acid, 5-Nitro-2-thenoic acid, Raltitrexed Impurity 6, 2-Thiophenecarboxylic acid, 5-nitro-
| Molecular Formula | C5H3NO4S |
|---|---|
| Molecular Weight | 172.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.97827 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 6317-37-9 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | UNEPVPOHGXLUIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-2-噻吩甲酸 (CAS 6317-37-9), with molecular formula C5H3NO4S and molecular weight 172.98 g/mol. IUPAC: 5-nitrothiophene-2-carboxylic acid.
Chemical Property Profile of 5-硝基-2-噻吩甲酸
Property Insights of 5-硝基-2-噻吩甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-2-噻吩甲酸. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-2-噻吩甲酸. Following Lipinski's Rule of Five, 5-硝基-2-噻吩甲酸 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 5-硝基-2-噻吩甲酸?
The CAS number of 5-硝基-2-噻吩甲酸 is 6317-37-9.
What is the molecular formula of 5-硝基-2-噻吩甲酸?
The molecular formula of 5-硝基-2-噻吩甲酸 is C5H3NO4S.
What is the molecular weight of 5-硝基-2-噻吩甲酸?
The molecular weight of 5-硝基-2-噻吩甲酸 is 172.98 g/mol.
Where can I buy 5-硝基-2-噻吩甲酸?
You can request a quote for 5-硝基-2-噻吩甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-2-噻吩甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2-噻吩甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.