BAS 03613509
TL;DR: BAS 03613509 (CAS 6140-92-7) is a chemical compound with molecular formula C21H22F3N5O3S and molecular weight 481.14 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-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
Also Known As: BAS 03613509, AP-906/42285472, 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide, 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acetamide, {[4-(3,4-Dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]ethanimidic acid
| Molecular Formula | C21H22F3N5O3S |
|---|---|
| Molecular Weight | 481.14 g/mol |
| LogP | 3.63002 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.13956 |
| Heavy Atoms | 33 |
| Complexity | 1150.6593 |
Chemical Identifiers
| CAS Number | 6140-92-7 |
|---|---|
| SMILES | CC1=NN(C=C1CNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC)C |
Product Overview
BAS 03613509 (CAS 6140-92-7), with molecular formula C21H22F3N5O3S and molecular weight 481.14 g/mol. IUPAC: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.
Chemical Property Profile of BAS 03613509
Property Insights of BAS 03613509
The XLogP value of 3.63002 indicates that BAS 03613509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03613509. Following Lipinski's Rule of Five, BAS 03613509 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 BAS 03613509?
The CAS number of BAS 03613509 is 6140-92-7.
What is the molecular formula of BAS 03613509?
The molecular formula of BAS 03613509 is C21H22F3N5O3S.
What is the molecular weight of BAS 03613509?
The molecular weight of BAS 03613509 is 481.14 g/mol.
Where can I buy BAS 03613509?
You can request a quote for BAS 03613509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03613509?
Yes, KEHONG BIO provides custom synthesis services for BAS 03613509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.