CBKinase1_012370
TL;DR: CBKinase1_012370 (CAS 727680-68-4) is a chemical compound with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Also Known As: CBKinase1_012370, CBKinase1_024770, BRD-K13669365-001-01-9, A3783/0160591, N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
| Molecular Formula | C20H21N5O2S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 4.09894 |
| Topological Polar Surface Area | 73.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1416 |
| Heavy Atoms | 28 |
| Complexity | 1135.0363 |
Chemical Identifiers
| CAS Number | 727680-68-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NCC4=CC(=C(C=C4)OC)OC |
Product Overview
CBKinase1_012370 (CAS 727680-68-4), with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline.
Chemical Property Profile of CBKinase1_012370
Property Insights of CBKinase1_012370
The XLogP value of 4.09894 indicates that CBKinase1_012370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012370. Following Lipinski's Rule of Five, CBKinase1_012370 has 1 hydrogen bond donor(s) and 7 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_012370?
The CAS number of CBKinase1_012370 is 727680-68-4.
What is the molecular formula of CBKinase1_012370?
The molecular formula of CBKinase1_012370 is C20H21N5O2S.
What is the molecular weight of CBKinase1_012370?
The molecular weight of CBKinase1_012370 is 395.14 g/mol.
Where can I buy CBKinase1_012370?
You can request a quote for CBKinase1_012370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012370?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.