C3 heterocyle indenopyrazole 8i
TL;DR: C3 heterocyle indenopyrazole 8i (CAS 679396-64-6) is a chemical compound with molecular formula C18H18N6O2S and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]urea
Also Known As: C3 heterocyle indenopyrazole 8i, J2.042.668C, 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H,4H-indeno[1,2-c]pyrazol-5-yl]-3-(dimethylamino)urea, 1,1-Dimethyl-4-[3-(2,4-dimethyl-5-thiazolyl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazole-5-yl]semicarbazide, 1-(dimethylamino)-3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]urea
| Molecular Formula | C18H18N6O2S |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.95954 |
| Topological Polar Surface Area | 103.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.1212 |
| Heavy Atoms | 27 |
| Complexity | 1081.71 |
Chemical Identifiers
| CAS Number | 679396-64-6 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C2=C3C(=NN2)C4=C(C3=O)C(=CC=C4)NC(=O)NN(C)C |
Product Overview
C3 heterocyle indenopyrazole 8i (CAS 679396-64-6), with molecular formula C18H18N6O2S and molecular weight 382.12 g/mol. IUPAC: 1-(dimethylamino)-3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]urea.
Chemical Property Profile of C3 heterocyle indenopyrazole 8i
Property Insights of C3 heterocyle indenopyrazole 8i
The XLogP value of 2.95954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C3 heterocyle indenopyrazole 8i. The TPSA of 103.01 Ų falls within the moderate polarity range, balancing permeability and solubility for C3 heterocyle indenopyrazole 8i. Following Lipinski's Rule of Five, C3 heterocyle indenopyrazole 8i has 3 hydrogen bond donor(s) and 6 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 C3 heterocyle indenopyrazole 8i?
The CAS number of C3 heterocyle indenopyrazole 8i is 679396-64-6.
What is the molecular formula of C3 heterocyle indenopyrazole 8i?
The molecular formula of C3 heterocyle indenopyrazole 8i is C18H18N6O2S.
What is the molecular weight of C3 heterocyle indenopyrazole 8i?
The molecular weight of C3 heterocyle indenopyrazole 8i is 382.12 g/mol.
Where can I buy C3 heterocyle indenopyrazole 8i?
You can request a quote for C3 heterocyle indenopyrazole 8i directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C3 heterocyle indenopyrazole 8i?
Yes, KEHONG BIO provides custom synthesis services for C3 heterocyle indenopyrazole 8i and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.