CBKinase1_001904
TL;DR: CBKinase1_001904 (CAS 433964-43-3) is a chemical compound with molecular formula C17H16N6S3 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: CBKinase1_001904, CBKinase1_014304, AF-399/41075185, BRD-K66467733-001-01-9, F1137-0002
| Molecular Formula | C17H16N6S3 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 4.42593 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.05984 |
| Heavy Atoms | 26 |
| Complexity | 1142.7274 |
Chemical Identifiers
| CAS Number | 433964-43-3 |
|---|---|
| SMILES | CC1=C(SC2=NC(=NC(=C12)N)SCC3=NNC(=S)N3C4=CC=CC=C4)C |
Product Overview
CBKinase1_001904 (CAS 433964-43-3), with molecular formula C17H16N6S3 and molecular weight 400.06 g/mol. IUPAC: 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of CBKinase1_001904
Property Insights of CBKinase1_001904
The XLogP value of 4.42593 indicates that CBKinase1_001904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001904. Following Lipinski's Rule of Five, CBKinase1_001904 has 2 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_001904?
The CAS number of CBKinase1_001904 is 433964-43-3.
What is the molecular formula of CBKinase1_001904?
The molecular formula of CBKinase1_001904 is C17H16N6S3.
What is the molecular weight of CBKinase1_001904?
The molecular weight of CBKinase1_001904 is 400.06 g/mol.
Where can I buy CBKinase1_001904?
You can request a quote for CBKinase1_001904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001904?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.