BAS 03613504
TL;DR: BAS 03613504 (CAS 493024-99-0) is a chemical compound with molecular formula C22H24F3N5O3S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
Also Known As: BAS 03613504, 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide, 2-((4-(3,4-Dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-((1,5-dimethyl-1H-pyrazol-4-yl)methyl)-N-methylacetamide, 2-[4-(3,4-Dimethoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-N-methyl-acetamide, 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-[(1,5-dime thylpyrazol-4-yl)methyl]-N-methylacetamide
| Molecular Formula | C22H24F3N5O3S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 3.97222 |
| Topological Polar Surface Area | 82.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.15518 |
| Heavy Atoms | 34 |
| Complexity | 1183.0773 |
Chemical Identifiers
| CAS Number | 493024-99-0 |
|---|---|
| SMILES | CC1=C(C=NN1C)CN(C)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 03613504 (CAS 493024-99-0), with molecular formula C22H24F3N5O3S and molecular weight 495.16 g/mol. IUPAC: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
Chemical Property Profile of BAS 03613504
Property Insights of BAS 03613504
The XLogP value of 3.97222 indicates that BAS 03613504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03613504. Following Lipinski's Rule of Five, BAS 03613504 has 0 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 BAS 03613504?
The CAS number of BAS 03613504 is 493024-99-0.
What is the molecular formula of BAS 03613504?
The molecular formula of BAS 03613504 is C22H24F3N5O3S.
What is the molecular weight of BAS 03613504?
The molecular weight of BAS 03613504 is 495.16 g/mol.
Where can I buy BAS 03613504?
You can request a quote for BAS 03613504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03613504?
Yes, KEHONG BIO provides custom synthesis services for BAS 03613504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.