CBKinase1_005672
TL;DR: CBKinase1_005672 (CAS 701227-58-9) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: CBKinase1_005672, CBKinase1_018072, BAS 06208029, BRD-A23447270-001-01-4, 4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 2.8836 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 691.2156 |
Chemical Identifiers
| CAS Number | 701227-58-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CO3 |
Product Overview
CBKinase1_005672 (CAS 701227-58-9), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: 4-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of CBKinase1_005672
Property Insights of CBKinase1_005672
The XLogP value of 2.8836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005672. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005672. Following Lipinski's Rule of Five, CBKinase1_005672 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 CBKinase1_005672?
The CAS number of CBKinase1_005672 is 701227-58-9.
What is the molecular formula of CBKinase1_005672?
The molecular formula of CBKinase1_005672 is C15H14N2O4S.
What is the molecular weight of CBKinase1_005672?
The molecular weight of CBKinase1_005672 is 318.07 g/mol.
Where can I buy CBKinase1_005672?
You can request a quote for CBKinase1_005672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005672?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.