TimTec1_004519
TL;DR: TimTec1_004519 (CAS 332052-46-7) is a chemical compound with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: TimTec1_004519, BAS 00866735, 6-amino-4-(3-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A1887/0079301, 6-amino-4-(3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H18N4O2 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.14297 |
| Heavy Atoms | 27 |
| Complexity | 1077.3063 |
Chemical Identifiers
| CAS Number | 332052-46-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OC)C4=CC=CC=C4 |
Product Overview
TimTec1_004519 (CAS 332052-46-7), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: 6-amino-4-(3-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of TimTec1_004519
Property Insights of TimTec1_004519
The XLogP value of 3.4075 indicates that TimTec1_004519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004519. Following Lipinski's Rule of Five, TimTec1_004519 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 TimTec1_004519?
The CAS number of TimTec1_004519 is 332052-46-7.
What is the molecular formula of TimTec1_004519?
The molecular formula of TimTec1_004519 is C21H18N4O2.
What is the molecular weight of TimTec1_004519?
The molecular weight of TimTec1_004519 is 358.14 g/mol.
Where can I buy TimTec1_004519?
You can request a quote for TimTec1_004519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004519?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.