Hedgehog IN-1
TL;DR: Hedgehog IN-1 (CAS 330796-24-2) is a chemical compound with molecular formula C23H15ClF4N4O2 and molecular weight 490.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
Also Known As: Hedgehog IN-1, Hedgehog-IN-7d, Hedgehog Antagonist VIII, Hedgehog Antagonist VII, N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea
| Molecular Formula | C23H15ClF4N4O2 |
|---|---|
| Molecular Weight | 490.08 g/mol |
| LogP | 5.5187 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.08197 |
| Heavy Atoms | 34 |
| Complexity | 1436.0975 |
Chemical Identifiers
| CAS Number | 330796-24-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)CNC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=CC=C(C=C4)F |
Product Overview
Hedgehog IN-1 (CAS 330796-24-2), with molecular formula C23H15ClF4N4O2 and molecular weight 490.08 g/mol. IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea.
Chemical Property Profile of Hedgehog IN-1
Property Insights of Hedgehog IN-1
The XLogP value of 5.5187 indicates that Hedgehog IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Hedgehog IN-1. Following Lipinski's Rule of Five, Hedgehog IN-1 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hedgehog IN-1?
The CAS number of Hedgehog IN-1 is 330796-24-2.
What is the molecular formula of Hedgehog IN-1?
The molecular formula of Hedgehog IN-1 is C23H15ClF4N4O2.
What is the molecular weight of Hedgehog IN-1?
The molecular weight of Hedgehog IN-1 is 490.08 g/mol.
Where can I buy Hedgehog IN-1?
You can request a quote for Hedgehog IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hedgehog IN-1?
Yes, KEHONG BIO provides custom synthesis services for Hedgehog IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.