RefChem:296773
TL;DR: RefChem:296773 (CAS 69099-54-3) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
Also Known As: 4H-(1)Benzothiopyrano(4,3-c)pyrazole-3-carboxamide, N-(2-(diethylamino)ethyl)-1-phenyl-, 5,5-dioxide, N-(2-diethylaminoethyl)-5,5-dioxo-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide, N-[2-(Diethylamino)ethyl]-5,5-dioxo-1-phenyl-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboximidic acid, BRN 0592179, RefChem:296773
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 69099-54-3 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=NN(C2=C1CS(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | NCGHXVLKCIVXDE-UHFFFAOYSA-N |
Product Overview
RefChem:296773 (CAS 69099-54-3), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-5,5-dioxo-1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
Chemical Property Profile of RefChem:296773
Property Insights of RefChem:296773
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296773. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296773. Following Lipinski's Rule of Five, RefChem:296773 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 RefChem:296773?
The CAS number of RefChem:296773 is 69099-54-3.
What is the molecular formula of RefChem:296773?
The molecular formula of RefChem:296773 is C23H26N4O3S.
What is the molecular weight of RefChem:296773?
The molecular weight of RefChem:296773 is 438.17 g/mol.
Where can I buy RefChem:296773?
You can request a quote for RefChem:296773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.