butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate
TL;DR: butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate (CAS 430468-62-5) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
Also Known As: butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate, butyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 3.76504 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 617.51746 |
Chemical Identifiers
| CAS Number | 430468-62-5 |
|---|---|
| SMILES | CCCCOC(=O)CCC1=C(N(N=C1C)C2=CC=CC=C2)C |
Product Overview
butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate (CAS 430468-62-5), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: butyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate.
Chemical Property Profile of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate
Property Insights of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate
The XLogP value of 3.76504 indicates that butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate has 0 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 butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate?
The CAS number of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate is 430468-62-5.
What is the molecular formula of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate?
The molecular formula of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate is C18H24N2O2.
What is the molecular weight of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate?
The molecular weight of butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate is 300.18 g/mol.
Where can I buy butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate?
You can request a quote for butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.