CBKinase1_005709
TL;DR: CBKinase1_005709 (CAS 701226-39-3) is a chemical compound with molecular formula C22H16FN5O3S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005709, CBKinase1_018109, BRD-K23285816-001-01-7, N-(4-fluorophenyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-fluorophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H16FN5O3S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.7124 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.0958 |
| Heavy Atoms | 32 |
| Complexity | 1262.3186 |
Chemical Identifiers
| CAS Number | 701226-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_005709 (CAS 701226-39-3), with molecular formula C22H16FN5O3S and molecular weight 449.10 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005709
Property Insights of CBKinase1_005709
The XLogP value of 4.7124 indicates that CBKinase1_005709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005709. Following Lipinski's Rule of Five, CBKinase1_005709 has 1 hydrogen bond donor(s) and 6 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_005709?
The CAS number of CBKinase1_005709 is 701226-39-3.
What is the molecular formula of CBKinase1_005709?
The molecular formula of CBKinase1_005709 is C22H16FN5O3S.
What is the molecular weight of CBKinase1_005709?
The molecular weight of CBKinase1_005709 is 449.10 g/mol.
Where can I buy CBKinase1_005709?
You can request a quote for CBKinase1_005709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005709?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.