CBKinase1_004542
TL;DR: CBKinase1_004542 (CAS 500113-07-5) is a chemical compound with molecular formula C24H21N3O4S2 and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: CBKinase1_004542, CBKinase1_016942, BRD-K49445804-001-01-1, F1143-0143, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5,6-dimethyl-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide
| Molecular Formula | C24H21N3O4S2 |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 4.56604 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.09735 |
| Heavy Atoms | 33 |
| Complexity | 1412.9945 |
Chemical Identifiers
| CAS Number | 500113-07-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)C |
Product Overview
CBKinase1_004542 (CAS 500113-07-5), with molecular formula C24H21N3O4S2 and molecular weight 479.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of CBKinase1_004542
Property Insights of CBKinase1_004542
The XLogP value of 4.56604 indicates that CBKinase1_004542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004542. Following Lipinski's Rule of Five, CBKinase1_004542 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_004542?
The CAS number of CBKinase1_004542 is 500113-07-5.
What is the molecular formula of CBKinase1_004542?
The molecular formula of CBKinase1_004542 is C24H21N3O4S2.
What is the molecular weight of CBKinase1_004542?
The molecular weight of CBKinase1_004542 is 479.10 g/mol.
Where can I buy CBKinase1_004542?
You can request a quote for CBKinase1_004542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004542?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.