BAS 01851122
TL;DR: BAS 01851122 (CAS 353492-39-4) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 01851122, BRD-K89705092-001-01-0, ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxamido)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.94146 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 1040.8959 |
Chemical Identifiers
| CAS Number | 353492-39-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl |
Product Overview
BAS 01851122 (CAS 353492-39-4), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: ethyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 01851122
Property Insights of BAS 01851122
The XLogP value of 4.94146 indicates that BAS 01851122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01851122. Following Lipinski's Rule of Five, BAS 01851122 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 BAS 01851122?
The CAS number of BAS 01851122 is 353492-39-4.
What is the molecular formula of BAS 01851122?
The molecular formula of BAS 01851122 is C20H20ClN3O3S.
What is the molecular weight of BAS 01851122?
The molecular weight of BAS 01851122 is 417.09 g/mol.
Where can I buy BAS 01851122?
You can request a quote for BAS 01851122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01851122?
Yes, KEHONG BIO provides custom synthesis services for BAS 01851122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.