C22H21N7S
TL;DR: C22H21N7S (CAS 1037565-37-9) is a chemical compound with molecular formula C22H21N7S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: N,N-diethyl-4-[3-(5-phenyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, diethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6- yl)]phenyl}amine, N,N-diethyl-4-(3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, N,N-diethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
| Molecular Formula | C22H21N7S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 4.7561 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.15793 |
| Heavy Atoms | 30 |
| Complexity | 1264.0813 |
Chemical Identifiers
| CAS Number | 1037565-37-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
C22H21N7S (CAS 1037565-37-9), with molecular formula C22H21N7S and molecular weight 415.16 g/mol. IUPAC: N,N-diethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of C22H21N7S
Property Insights of C22H21N7S
The XLogP value of 4.7561 indicates that C22H21N7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H21N7S. Following Lipinski's Rule of Five, C22H21N7S has 1 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 C22H21N7S?
The CAS number of C22H21N7S is 1037565-37-9.
What is the molecular formula of C22H21N7S?
The molecular formula of C22H21N7S is C22H21N7S.
What is the molecular weight of C22H21N7S?
The molecular weight of C22H21N7S is 415.16 g/mol.
Where can I buy C22H21N7S?
You can request a quote for C22H21N7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H21N7S?
Yes, KEHONG BIO provides custom synthesis services for C22H21N7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.