4-Nitro-1-benzoselenophene-2-carboxylic acid
TL;DR: 4-Nitro-1-benzoselenophene-2-carboxylic acid (CAS 64150-45-4) is a chemical compound with molecular formula C9H5NO4Se and molecular weight 270.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-benzoselenophene-2-carboxylic acid
Also Known As: 4-nitro-1-benzoselenophene-2-carboxylic acid, 4-nitro-benzo[b]selenophene-2-carboxylic acid, Benzo[b]selenophene-2-carboxylicacid, 4-nitro-, RefChem:294978
| Molecular Formula | C9H5NO4Se |
|---|---|
| Molecular Weight | 270.94 g/mol |
| LogP | 1.5032 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.9384 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 64150-45-4 |
|---|---|
| SMILES | C1=CC(=C2C=C([Se]C2=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | NIKARALGJQFOOD-UHFFFAOYSA-N |
Product Overview
4-Nitro-1-benzoselenophene-2-carboxylic acid (CAS 64150-45-4), with molecular formula C9H5NO4Se and molecular weight 270.94 g/mol. IUPAC: 4-nitro-1-benzoselenophene-2-carboxylic acid.
Chemical Property Profile of 4-Nitro-1-benzoselenophene-2-carboxylic acid
Property Insights of 4-Nitro-1-benzoselenophene-2-carboxylic acid
The XLogP value of 1.5032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-benzoselenophene-2-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1-benzoselenophene-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Nitro-1-benzoselenophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-1-benzoselenophene-2-carboxylic acid?
The CAS number of 4-Nitro-1-benzoselenophene-2-carboxylic acid is 64150-45-4.
What is the molecular formula of 4-Nitro-1-benzoselenophene-2-carboxylic acid?
The molecular formula of 4-Nitro-1-benzoselenophene-2-carboxylic acid is C9H5NO4Se.
What is the molecular weight of 4-Nitro-1-benzoselenophene-2-carboxylic acid?
The molecular weight of 4-Nitro-1-benzoselenophene-2-carboxylic acid is 270.94 g/mol.
Where can I buy 4-Nitro-1-benzoselenophene-2-carboxylic acid?
You can request a quote for 4-Nitro-1-benzoselenophene-2-carboxylic 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-1-benzoselenophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-benzoselenophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.