RefChem:296775
TL;DR: RefChem:296775 (CAS 69099-37-2) is a chemical compound with molecular formula C21H25FN4O3S and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(dimethylamino)ethyl]-6-fluoro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide;dihydrate
Also Known As: 4H-(1)Benzothiopyrano(4,3-c)pyrazole-3-carboxamide, N-(2-(dimethylamino)ethyl)-6-fluoro-1-phenyl-, dihydrate, 1-Fenil-6-fluoro-3(N,N-dimetilamminocarbamoil)-4H(1)benzotiopirano-(4,3-c)pirazolo [Italian], 1-Fenil-6-fluoro-3(N,N-dimetilamminocarbamoil)-4H(1)benzotiopirano-(4,3-c)pirazolo, N-(2-dimethylaminoethyl)-6-fluoro-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate, 4H-(1)BENZOTHIOPYRANO(4,3-c)PYRAZOLE-3-CARBOXAMIDE, N-(2-(DIMETHYLAMINO)ETHYL)-6
| Molecular Formula | C21H25FN4O3S |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.16315 |
| Heavy Atoms | 30 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 69099-37-2 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=NN(C2=C1CSC3=C2C=CC=C3F)C4=CC=CC=C4.O.O |
| InChIKey | GHNQIZOVHZCOFO-UHFFFAOYSA-N |
Product Overview
RefChem:296775 (CAS 69099-37-2), with molecular formula C21H25FN4O3S and molecular weight 432.16 g/mol. IUPAC: N-[2-(dimethylamino)ethyl]-6-fluoro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide;dihydrate.
Chemical Property Profile of RefChem:296775
Property Insights of RefChem:296775
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296775. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296775. Following Lipinski's Rule of Five, RefChem:296775 has 3 hydrogen bond donor(s) and 7 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 RefChem:296775?
The CAS number of RefChem:296775 is 69099-37-2.
What is the molecular formula of RefChem:296775?
The molecular formula of RefChem:296775 is C21H25FN4O3S.
What is the molecular weight of RefChem:296775?
The molecular weight of RefChem:296775 is 432.16 g/mol.
Where can I buy RefChem:296775?
You can request a quote for RefChem:296775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296775?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.