CBKinase1_010025
TL;DR: CBKinase1_010025 (CAS 767325-25-7) is a chemical compound with molecular formula C18H16FN5O3S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: CBKinase1_010025, CBKinase1_022425, BRD-K77800001-001-01-3, 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C18H16FN5O3S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.7431 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.0958 |
| Heavy Atoms | 28 |
| Complexity | 1006.7106 |
Chemical Identifiers
| CAS Number | 767325-25-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F |
Product Overview
CBKinase1_010025 (CAS 767325-25-7), with molecular formula C18H16FN5O3S and molecular weight 401.10 g/mol. IUPAC: 2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_010025
Property Insights of CBKinase1_010025
The XLogP value of 3.7431 indicates that CBKinase1_010025 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_010025. Following Lipinski's Rule of Five, CBKinase1_010025 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_010025?
The CAS number of CBKinase1_010025 is 767325-25-7.
What is the molecular formula of CBKinase1_010025?
The molecular formula of CBKinase1_010025 is C18H16FN5O3S.
What is the molecular weight of CBKinase1_010025?
The molecular weight of CBKinase1_010025 is 401.10 g/mol.
Where can I buy CBKinase1_010025?
You can request a quote for CBKinase1_010025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010025?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.