![2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline structure](/static/products/5530/5530-88-1.webp)
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline
TL;DR: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline (CAS 5530-88-1) is a chemical compound with molecular formula C18H17N3S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-phenylmethanimine
Also Known As: BIM-0022121.P001, 2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-n-[(e)-phenylmethylene]aniline, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline, N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-phenylmethanimine, 4-[2-((1Z)-2-phenyl-1-azavinyl)phenylthio]-3,5-dimethylpyrazole
| Molecular Formula | C18H17N3S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 4.92834 |
| Topological Polar Surface Area | 41.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.11432 |
| Heavy Atoms | 22 |
| Complexity | 771.60175 |
Chemical Identifiers
| CAS Number | 5530-88-1 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC=CC=C3 |
Product Overview
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline (CAS 5530-88-1), with molecular formula C18H17N3S and molecular weight 307.11 g/mol. IUPAC: N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-1-phenylmethanimine.
Chemical Property Profile of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline
Property Insights of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline
The XLogP value of 4.92834 indicates that 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.04 Ų, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline has 1 hydrogen bond donor(s) and 3 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 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline?
The CAS number of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline is 5530-88-1.
What is the molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline?
The molecular formula of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline is C18H17N3S.
What is the molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline?
The molecular weight of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline is 307.11 g/mol.
Where can I buy 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline?
You can request a quote for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-N-[(E)-phenylmethylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.