CBKinase1_003010
TL;DR: CBKinase1_003010 (CAS 692773-58-3) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003010, CBKinase1_015410, BRD-K46578054-001-01-9, N-(3-chloro-2-methylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 4.08292 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 1036.2004 |
Chemical Identifiers
| CAS Number | 692773-58-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_003010 (CAS 692773-58-3), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003010
Property Insights of CBKinase1_003010
The XLogP value of 4.08292 indicates that CBKinase1_003010 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_003010. Following Lipinski's Rule of Five, CBKinase1_003010 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_003010?
The CAS number of CBKinase1_003010 is 692773-58-3.
What is the molecular formula of CBKinase1_003010?
The molecular formula of CBKinase1_003010 is C18H16ClN5O3S.
What is the molecular weight of CBKinase1_003010?
The molecular weight of CBKinase1_003010 is 417.07 g/mol.
Where can I buy CBKinase1_003010?
You can request a quote for CBKinase1_003010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003010?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.