ChemDiv1_001189
TL;DR: ChemDiv1_001189 (CAS 351520-64-4) is a chemical compound with molecular formula C18H22N4O7S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_001189, BAS 00318459, diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C18H22N4O7S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.77016 |
| Topological Polar Surface Area | 142.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.1209 |
| Heavy Atoms | 30 |
| Complexity | 1008.8325 |
Chemical Identifiers
| CAS Number | 351520-64-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C |
Product Overview
ChemDiv1_001189 (CAS 351520-64-4), with molecular formula C18H22N4O7S and molecular weight 438.12 g/mol. IUPAC: diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_001189
Property Insights of ChemDiv1_001189
The XLogP value of 2.77016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001189. The TPSA of 142.66 Ų indicates high polarity, suggesting ChemDiv1_001189 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_001189 has 1 hydrogen bond donor(s) and 9 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 ChemDiv1_001189?
The CAS number of ChemDiv1_001189 is 351520-64-4.
What is the molecular formula of ChemDiv1_001189?
The molecular formula of ChemDiv1_001189 is C18H22N4O7S.
What is the molecular weight of ChemDiv1_001189?
The molecular weight of ChemDiv1_001189 is 438.12 g/mol.
Where can I buy ChemDiv1_001189?
You can request a quote for ChemDiv1_001189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001189?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.