CBKinase1_007557
TL;DR: CBKinase1_007557 (CAS 488744-70-3) is a chemical compound with molecular formula C20H20N2O2S2 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: CBKinase1_007557, CBKinase1_019957, BRD-K88122940-001-01-3, ethyl 2-((2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetate, ethyl [(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C20H20N2O2S2 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 4.8923 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.09662 |
| Heavy Atoms | 26 |
| Complexity | 937.8842 |
Chemical Identifiers
| CAS Number | 488744-70-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4 |
Product Overview
CBKinase1_007557 (CAS 488744-70-3), with molecular formula C20H20N2O2S2 and molecular weight 384.10 g/mol. IUPAC: ethyl 2-[(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of CBKinase1_007557
Property Insights of CBKinase1_007557
The XLogP value of 4.8923 indicates that CBKinase1_007557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, CBKinase1_007557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007557 has 0 hydrogen bond donor(s) and 6 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_007557?
The CAS number of CBKinase1_007557 is 488744-70-3.
What is the molecular formula of CBKinase1_007557?
The molecular formula of CBKinase1_007557 is C20H20N2O2S2.
What is the molecular weight of CBKinase1_007557?
The molecular weight of CBKinase1_007557 is 384.10 g/mol.
Where can I buy CBKinase1_007557?
You can request a quote for CBKinase1_007557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007557?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.