Egfr-IN-52
TL;DR: Egfr-IN-52 (CAS 454436-75-0) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: EGFR-IN-52, F1533-0323, 1-(2H-1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, 1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea, 1-(benzo[d][1,3]dioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.02202 |
| Topological Polar Surface Area | 69.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1072.5491 |
Chemical Identifiers
| CAS Number | 454436-75-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCO4 |
Product Overview
Egfr-IN-52 (CAS 454436-75-0), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.
Chemical Property Profile of Egfr-IN-52
Property Insights of Egfr-IN-52
The XLogP value of 3.02202 indicates that Egfr-IN-52 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Egfr-IN-52. Following Lipinski's Rule of Five, Egfr-IN-52 has 2 hydrogen bond donor(s) and 4 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 Egfr-IN-52?
The CAS number of Egfr-IN-52 is 454436-75-0.
What is the molecular formula of Egfr-IN-52?
The molecular formula of Egfr-IN-52 is C19H18N4O3S.
What is the molecular weight of Egfr-IN-52?
The molecular weight of Egfr-IN-52 is 382.11 g/mol.
Where can I buy Egfr-IN-52?
You can request a quote for Egfr-IN-52 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Egfr-IN-52?
Yes, KEHONG BIO provides custom synthesis services for Egfr-IN-52 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.