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Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)
TL;DR: Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) (CAS 726198-29-4) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(pyrazine-2-carbonylamino)phenyl]acetic acid
Also Known As: 2-[4-(pyrazine-2-carbonylamino)phenyl]acetic Acid, Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]- (9CI), [4-(PYRAZINE-2-AMIDO)PHENYL]ACETIC ACID, {4-[(2-pyrazinylcarbonyl)amino]phenyl}acetic acid, {4-[(pyrazin-2-ylcarbonyl)amino]phenyl}acetic acid
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.356 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 581.8422 |
Chemical Identifiers
| CAS Number | 726198-29-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)NC(=O)C2=NC=CN=C2 |
Product Overview
Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) (CAS 726198-29-4), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 2-[4-(pyrazine-2-carbonylamino)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)
Property Insights of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)
The XLogP value of 1.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI). The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI). Following Lipinski's Rule of Five, Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) has 2 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 Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)?
The CAS number of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) is 726198-29-4.
What is the molecular formula of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)?
The molecular formula of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) is C13H11N3O3.
What is the molecular weight of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)?
The molecular weight of Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) is 257.08 g/mol.
Where can I buy Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)?
You can request a quote for Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-[(pyrazinylcarbonyl)amino]-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.