CBKinase1_002600
TL;DR: CBKinase1_002600 (CAS 692282-08-9) is a chemical compound with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: CBKinase1_002600, CBKinase1_015000, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-5-(pyridin-3-yl)pyrrolidine-2,3-dione, 3-hydroxy-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-(3-pyridinyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-(pyridin-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C19H16N4O3S2 |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 3.9009 |
| Topological Polar Surface Area | 96.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06638 |
| Heavy Atoms | 28 |
| Complexity | 1058.0613 |
Chemical Identifiers
| CAS Number | 692282-08-9 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CN=CC=C4 |
Product Overview
CBKinase1_002600 (CAS 692282-08-9), with molecular formula C19H16N4O3S2 and molecular weight 412.07 g/mol. IUPAC: 4-hydroxy-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of CBKinase1_002600
Property Insights of CBKinase1_002600
The XLogP value of 3.9009 indicates that CBKinase1_002600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002600. Following Lipinski's Rule of Five, CBKinase1_002600 has 1 hydrogen bond donor(s) and 8 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 CBKinase1_002600?
The CAS number of CBKinase1_002600 is 692282-08-9.
What is the molecular formula of CBKinase1_002600?
The molecular formula of CBKinase1_002600 is C19H16N4O3S2.
What is the molecular weight of CBKinase1_002600?
The molecular weight of CBKinase1_002600 is 412.07 g/mol.
Where can I buy CBKinase1_002600?
You can request a quote for CBKinase1_002600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002600?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.