CBKinase1_002496
TL;DR: CBKinase1_002496 (CAS 577990-49-9) is a chemical compound with molecular formula C27H21N5O2S and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002496, CBKinase1_014896, BRD-K41883024-001-01-5, N-(4-phenoxyphenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-phenoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C27H21N5O2S |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 5.8524 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.1416 |
| Heavy Atoms | 35 |
| Complexity | 1392.5005 |
Chemical Identifiers
| CAS Number | 577990-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CN=CC=C5 |
Product Overview
CBKinase1_002496 (CAS 577990-49-9), with molecular formula C27H21N5O2S and molecular weight 479.14 g/mol. IUPAC: N-(4-phenoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002496
Property Insights of CBKinase1_002496
The XLogP value of 5.8524 indicates that CBKinase1_002496 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002496. Following Lipinski's Rule of Five, CBKinase1_002496 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002496?
The CAS number of CBKinase1_002496 is 577990-49-9.
What is the molecular formula of CBKinase1_002496?
The molecular formula of CBKinase1_002496 is C27H21N5O2S.
What is the molecular weight of CBKinase1_002496?
The molecular weight of CBKinase1_002496 is 479.14 g/mol.
Where can I buy CBKinase1_002496?
You can request a quote for CBKinase1_002496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002496?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.