CBKinase1_006027
TL;DR: CBKinase1_006027 (CAS 669744-07-4) is a chemical compound with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: CBKinase1_006027, CBKinase1_018427, 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine, BRD-K05839831-001-01-4, [4-amino-6-(benzothiazol-2-ylthiomethyl)(1,3,5-triazin-2-yl)](2-methoxyphenyl) amine
| Molecular Formula | C18H16N6OS2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 4.108 |
| Topological Polar Surface Area | 98.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0827 |
| Heavy Atoms | 27 |
| Complexity | 1051.3407 |
Chemical Identifiers
| CAS Number | 669744-07-4 |
|---|---|
| SMILES | COC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4S3 |
Product Overview
CBKinase1_006027 (CAS 669744-07-4), with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol. IUPAC: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of CBKinase1_006027
Property Insights of CBKinase1_006027
The XLogP value of 4.108 indicates that CBKinase1_006027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.84 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006027. Following Lipinski's Rule of Five, CBKinase1_006027 has 2 hydrogen bond donor(s) and 9 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_006027?
The CAS number of CBKinase1_006027 is 669744-07-4.
What is the molecular formula of CBKinase1_006027?
The molecular formula of CBKinase1_006027 is C18H16N6OS2.
What is the molecular weight of CBKinase1_006027?
The molecular weight of CBKinase1_006027 is 396.08 g/mol.
Where can I buy CBKinase1_006027?
You can request a quote for CBKinase1_006027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006027?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.