(2-Nitro-1-benzothiophen-3-yl)acetic acid
TL;DR: (2-Nitro-1-benzothiophen-3-yl)acetic acid (CAS 6313-41-3) is a chemical compound with molecular formula C10H7NO4S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-1-benzothiophen-3-yl)acetic acid
Also Known As: (2-nitro-1-benzothiophen-3-yl)acetic acid, 2-(2-nitro-1-benzothiophen-3-yl)acetic acid, KST-1A6804, Benzo[b]thiophene-3-aceticacid, 2-nitro-
| Molecular Formula | C10H7NO4S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00958 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 6313-41-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])CC(=O)O |
| InChIKey | LPGVIKVTBPUNRD-UHFFFAOYSA-N |
Product Overview
(2-Nitro-1-benzothiophen-3-yl)acetic acid (CAS 6313-41-3), with molecular formula C10H7NO4S and molecular weight 237.01 g/mol. IUPAC: 2-(2-nitro-1-benzothiophen-3-yl)acetic acid.
Chemical Property Profile of (2-Nitro-1-benzothiophen-3-yl)acetic acid
Property Insights of (2-Nitro-1-benzothiophen-3-yl)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-1-benzothiophen-3-yl)acetic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-1-benzothiophen-3-yl)acetic acid. Following Lipinski's Rule of Five, (2-Nitro-1-benzothiophen-3-yl)acetic acid 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 (2-Nitro-1-benzothiophen-3-yl)acetic acid?
The CAS number of (2-Nitro-1-benzothiophen-3-yl)acetic acid is 6313-41-3.
What is the molecular formula of (2-Nitro-1-benzothiophen-3-yl)acetic acid?
The molecular formula of (2-Nitro-1-benzothiophen-3-yl)acetic acid is C10H7NO4S.
What is the molecular weight of (2-Nitro-1-benzothiophen-3-yl)acetic acid?
The molecular weight of (2-Nitro-1-benzothiophen-3-yl)acetic acid is 237.01 g/mol.
Where can I buy (2-Nitro-1-benzothiophen-3-yl)acetic acid?
You can request a quote for (2-Nitro-1-benzothiophen-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-1-benzothiophen-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-1-benzothiophen-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.