BAS 00317066
TL;DR: BAS 00317066 (CAS 5338-46-5) is a chemical compound with molecular formula C17H17ClN6 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-chlorophenyl)methylideneamino]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-amine
Also Known As: BAS 00317066, BIM-0017678.P001, N-[(E)-(3-chlorophenyl)methylideneamino]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-amine, 3-chlorobenzaldehyde [6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-4-pyrimidinyl]hydrazone, 4-{(2E)-2-[(3-Chlorophenyl)methylidene]hydrazin-1-yl}-6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidine
| Molecular Formula | C17H17ClN6 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 3.68696 |
| Topological Polar Surface Area | 67.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.12033 |
| Heavy Atoms | 24 |
| Complexity | 899.8465 |
Chemical Identifiers
| CAS Number | 5338-46-5 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC(=NC(=C2)N/N=C/C3=CC(=CC=C3)Cl)C)C |
Product Overview
BAS 00317066 (CAS 5338-46-5), with molecular formula C17H17ClN6 and molecular weight 340.12 g/mol. IUPAC: N-[(E)-(3-chlorophenyl)methylideneamino]-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-amine.
Chemical Property Profile of BAS 00317066
Property Insights of BAS 00317066
The XLogP value of 3.68696 indicates that BAS 00317066 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 00317066. Following Lipinski's Rule of Five, BAS 00317066 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 00317066?
The CAS number of BAS 00317066 is 5338-46-5.
What is the molecular formula of BAS 00317066?
The molecular formula of BAS 00317066 is C17H17ClN6.
What is the molecular weight of BAS 00317066?
The molecular weight of BAS 00317066 is 340.12 g/mol.
Where can I buy BAS 00317066?
You can request a quote for BAS 00317066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00317066?
Yes, KEHONG BIO provides custom synthesis services for BAS 00317066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.