CBKinase1_003586
TL;DR: CBKinase1_003586 (CAS 460727-12-2) is a chemical compound with molecular formula C18H19N3O3S3 and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: CBKinase1_003586, CBKinase1_015986, BAS 04392364, SDCCGSBI-0660281.P001, BRD-K65199120-001-01-0
| Molecular Formula | C18H19N3O3S3 |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 4.50388 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.05887 |
| Heavy Atoms | 27 |
| Complexity | 1039.5634 |
Chemical Identifiers
| CAS Number | 460727-12-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C |
Product Overview
CBKinase1_003586 (CAS 460727-12-2), with molecular formula C18H19N3O3S3 and molecular weight 421.06 g/mol. IUPAC: methyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_003586
Property Insights of CBKinase1_003586
The XLogP value of 4.50388 indicates that CBKinase1_003586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003586. Following Lipinski's Rule of Five, CBKinase1_003586 has 1 hydrogen bond donor(s) and 8 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_003586?
The CAS number of CBKinase1_003586 is 460727-12-2.
What is the molecular formula of CBKinase1_003586?
The molecular formula of CBKinase1_003586 is C18H19N3O3S3.
What is the molecular weight of CBKinase1_003586?
The molecular weight of CBKinase1_003586 is 421.06 g/mol.
Where can I buy CBKinase1_003586?
You can request a quote for CBKinase1_003586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003586?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.