CBKinase1_003618
TL;DR: CBKinase1_003618 (CAS 665018-29-1) is a chemical compound with molecular formula C19H19ClN4OS2 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
Also Known As: CBKinase1_003618, CBKinase1_016018, AN-698/42116156, BRD-K76597713-001-01-5, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
| Molecular Formula | C19H19ClN4OS2 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 5.0711 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.06888 |
| Heavy Atoms | 27 |
| Complexity | 927.714 |
Chemical Identifiers
| CAS Number | 665018-29-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_003618 (CAS 665018-29-1), with molecular formula C19H19ClN4OS2 and molecular weight 418.07 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003618
Property Insights of CBKinase1_003618
The XLogP value of 5.0711 indicates that CBKinase1_003618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_003618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003618 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_003618?
The CAS number of CBKinase1_003618 is 665018-29-1.
What is the molecular formula of CBKinase1_003618?
The molecular formula of CBKinase1_003618 is C19H19ClN4OS2.
What is the molecular weight of CBKinase1_003618?
The molecular weight of CBKinase1_003618 is 418.07 g/mol.
Where can I buy CBKinase1_003618?
You can request a quote for CBKinase1_003618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003618?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.