A2564/0109277
TL;DR: A2564/0109277 (CAS 403714-69-2) is a chemical compound with molecular formula C20H20N4O5S and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-benzyl-3-nitropyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: A2564/0109277, ethyl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(1-benzyl-3-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-(1-BENZYL-3-NITRO-1H-PYRAZOLE-5-AMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(1-benzyl-3-nitro-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H20N4O5S |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 3.94694 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.11545 |
| Heavy Atoms | 30 |
| Complexity | 1104.1023 |
Chemical Identifiers
| CAS Number | 403714-69-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
A2564/0109277 (CAS 403714-69-2), with molecular formula C20H20N4O5S and molecular weight 428.12 g/mol. IUPAC: ethyl 2-[(1-benzyl-3-nitropyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of A2564/0109277
Property Insights of A2564/0109277
The XLogP value of 3.94694 indicates that A2564/0109277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A2564/0109277. Following Lipinski's Rule of Five, A2564/0109277 has 1 hydrogen bond donor(s) and 7 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 A2564/0109277?
The CAS number of A2564/0109277 is 403714-69-2.
What is the molecular formula of A2564/0109277?
The molecular formula of A2564/0109277 is C20H20N4O5S.
What is the molecular weight of A2564/0109277?
The molecular weight of A2564/0109277 is 428.12 g/mol.
Where can I buy A2564/0109277?
You can request a quote for A2564/0109277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2564/0109277?
Yes, KEHONG BIO provides custom synthesis services for A2564/0109277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.