CBKinase1_007951
TL;DR: CBKinase1_007951 (CAS 709000-92-0) is a chemical compound with molecular formula C18H11N5O4S and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylfuran-3-yl)-6-[5-(2-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: CBKinase1_007951, CBKinase1_020351, BRD-K63106814-001-01-8, 3-(2-methylfuran-3-yl)-6-[5-(2-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(2-methyl(3-furyl))-6-[5-(2-nitrophenyl)(2-furyl)]-1,2,4-triazolo[3,4-b]1,3, 4-thiadiazoline
| Molecular Formula | C18H11N5O4S |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 4.58942 |
| Topological Polar Surface Area | 112.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.05316 |
| Heavy Atoms | 28 |
| Complexity | 1328.7223 |
Chemical Identifiers
| CAS Number | 709000-92-0 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-] |
Product Overview
CBKinase1_007951 (CAS 709000-92-0), with molecular formula C18H11N5O4S and molecular weight 393.05 g/mol. IUPAC: 3-(2-methylfuran-3-yl)-6-[5-(2-nitrophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of CBKinase1_007951
Property Insights of CBKinase1_007951
The XLogP value of 4.58942 indicates that CBKinase1_007951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007951. Following Lipinski's Rule of Five, CBKinase1_007951 has 0 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_007951?
The CAS number of CBKinase1_007951 is 709000-92-0.
What is the molecular formula of CBKinase1_007951?
The molecular formula of CBKinase1_007951 is C18H11N5O4S.
What is the molecular weight of CBKinase1_007951?
The molecular weight of CBKinase1_007951 is 393.05 g/mol.
Where can I buy CBKinase1_007951?
You can request a quote for CBKinase1_007951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007951?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.