CBKinase1_000636
TL;DR: CBKinase1_000636 (CAS 329922-07-8) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_000636, CBKinase1_013036, BAS 01855863, AB00094204-01, BRD-K57135911-001-01-7
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 4.87494 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1121.192 |
Chemical Identifiers
| CAS Number | 329922-07-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)C |
Product Overview
CBKinase1_000636 (CAS 329922-07-8), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_000636
Property Insights of CBKinase1_000636
The XLogP value of 4.87494 indicates that CBKinase1_000636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000636. Following Lipinski's Rule of Five, CBKinase1_000636 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_000636?
The CAS number of CBKinase1_000636 is 329922-07-8.
What is the molecular formula of CBKinase1_000636?
The molecular formula of CBKinase1_000636 is C22H20N4O2S.
What is the molecular weight of CBKinase1_000636?
The molecular weight of CBKinase1_000636 is 404.13 g/mol.
Where can I buy CBKinase1_000636?
You can request a quote for CBKinase1_000636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000636?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.