CBKinase1_004938
TL;DR: CBKinase1_004938 (CAS 587004-93-1) is a chemical compound with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: CBKinase1_004938, CBKinase1_017338, F3394-0626, BRD-K60488206-001-01-9, 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C22H16ClN3O3S2 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 5.5137 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.03217 |
| Heavy Atoms | 31 |
| Complexity | 1260.8386 |
Chemical Identifiers
| CAS Number | 587004-93-1 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
CBKinase1_004938 (CAS 587004-93-1), with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol. IUPAC: 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of CBKinase1_004938
Property Insights of CBKinase1_004938
The XLogP value of 5.5137 indicates that CBKinase1_004938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004938. Following Lipinski's Rule of Five, CBKinase1_004938 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004938?
The CAS number of CBKinase1_004938 is 587004-93-1.
What is the molecular formula of CBKinase1_004938?
The molecular formula of CBKinase1_004938 is C22H16ClN3O3S2.
What is the molecular weight of CBKinase1_004938?
The molecular weight of CBKinase1_004938 is 469.03 g/mol.
Where can I buy CBKinase1_004938?
You can request a quote for CBKinase1_004938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004938?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.