IN6BR3M1WZ
TL;DR: IN6BR3M1WZ (CAS 69099-36-1) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
Also Known As: 4H-(1)Benzothiopyrano(4,3-c)pyrazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-1-phenyl-, N-(2-(Dimethylamino)ethyl)-1-phenyl-4H-(1)benzothiopyrano(4,3-c)pyrazole-3-carboxamide, N-(2-(Dimethylamino)ethyl)-1,4-dihydro-1-phenyl-(1)benzothiopyrano(4,3-C)pyrazole-3-carboxamide, N-[2-(dimethylamino)ethyl]-1-phenyl-4H-thiochromeno[4,3-c]py, N-(2-(Dimethylamino)ethyl)-1-phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 69099-36-1 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | VCUBVDQSDPYBSU-UHFFFAOYSA-N |
Product Overview
IN6BR3M1WZ (CAS 69099-36-1), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
Chemical Property Profile of IN6BR3M1WZ
Property Insights of IN6BR3M1WZ
The XLogP value of 3.3 indicates that IN6BR3M1WZ is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IN6BR3M1WZ. Following Lipinski's Rule of Five, IN6BR3M1WZ has 1 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 IN6BR3M1WZ?
The CAS number of IN6BR3M1WZ is 69099-36-1.
What is the molecular formula of IN6BR3M1WZ?
The molecular formula of IN6BR3M1WZ is C21H22N4OS.
What is the molecular weight of IN6BR3M1WZ?
The molecular weight of IN6BR3M1WZ is 378.15 g/mol.
Where can I buy IN6BR3M1WZ?
You can request a quote for IN6BR3M1WZ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IN6BR3M1WZ?
Yes, KEHONG BIO provides custom synthesis services for IN6BR3M1WZ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.