BAS 00317099
TL;DR: BAS 00317099 (CAS 5338-49-8) is a chemical compound with molecular formula C17H17FN6 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylpyrimidin-4-amine
Also Known As: BAS 00317099, BIM-0018492.P001, 3-fluorobenzaldehyde [6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]hydrazone, 6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylpyrimidin-4-amine
| Molecular Formula | C17H17FN6 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 3.17266 |
| Topological Polar Surface Area | 67.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.14987 |
| Heavy Atoms | 24 |
| Complexity | 899.8465 |
Chemical Identifiers
| CAS Number | 5338-49-8 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=NC(=C2)N/N=C/C3=CC(=CC=C3)F)C)C |
Product Overview
BAS 00317099 (CAS 5338-49-8), with molecular formula C17H17FN6 and molecular weight 324.15 g/mol. IUPAC: 6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]-2-methylpyrimidin-4-amine.
Chemical Property Profile of BAS 00317099
Property Insights of BAS 00317099
The XLogP value of 3.17266 indicates that BAS 00317099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00317099. Following Lipinski's Rule of Five, BAS 00317099 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 00317099?
The CAS number of BAS 00317099 is 5338-49-8.
What is the molecular formula of BAS 00317099?
The molecular formula of BAS 00317099 is C17H17FN6.
What is the molecular weight of BAS 00317099?
The molecular weight of BAS 00317099 is 324.15 g/mol.
Where can I buy BAS 00317099?
You can request a quote for BAS 00317099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00317099?
Yes, KEHONG BIO provides custom synthesis services for BAS 00317099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.