CBKinase1_012338
TL;DR: CBKinase1_012338 (CAS 836664-19-8) is a chemical compound with molecular formula C25H18N4O4S and molecular weight 470.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(furan-2-yl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_012338, CBKinase1_024738, BRD-K78786936-001-01-3, 4-[({[5-(2-furyl)-4-(1-naphthyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoic acid, 4-(2-((5-(furan-2-yl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid
| Molecular Formula | C25H18N4O4S |
|---|---|
| Molecular Weight | 470.10 g/mol |
| LogP | 5.1095 |
| Topological Polar Surface Area | 110.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.1049 |
| Heavy Atoms | 34 |
| Complexity | 1471.6444 |
Chemical Identifiers
| CAS Number | 836664-19-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2N3C(=NN=C3SCC(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=CO5 |
Product Overview
CBKinase1_012338 (CAS 836664-19-8), with molecular formula C25H18N4O4S and molecular weight 470.10 g/mol. IUPAC: 4-[[2-[[5-(furan-2-yl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of CBKinase1_012338
Property Insights of CBKinase1_012338
The XLogP value of 5.1095 indicates that CBKinase1_012338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012338. Following Lipinski's Rule of Five, CBKinase1_012338 has 2 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_012338?
The CAS number of CBKinase1_012338 is 836664-19-8.
What is the molecular formula of CBKinase1_012338?
The molecular formula of CBKinase1_012338 is C25H18N4O4S.
What is the molecular weight of CBKinase1_012338?
The molecular weight of CBKinase1_012338 is 470.10 g/mol.
Where can I buy CBKinase1_012338?
You can request a quote for CBKinase1_012338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012338?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.