CBKinase1_005502
TL;DR: CBKinase1_005502 (CAS 406199-75-5) is a chemical compound with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
Also Known As: CBKinase1_005502, CBKinase1_017902, 2-((6-Ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid, BRD-K50282824-001-01-0, (6-Ethyl-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
| Molecular Formula | C16H14N2O3S2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 3.1863 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0446 |
| Heavy Atoms | 23 |
| Complexity | 916.2152 |
Chemical Identifiers
| CAS Number | 406199-75-5 |
|---|---|
| SMILES | CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O |
Product Overview
CBKinase1_005502 (CAS 406199-75-5), with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol. IUPAC: 2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of CBKinase1_005502
Property Insights of CBKinase1_005502
The XLogP value of 3.1863 indicates that CBKinase1_005502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005502. Following Lipinski's Rule of Five, CBKinase1_005502 has 1 hydrogen bond donor(s) and 5 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_005502?
The CAS number of CBKinase1_005502 is 406199-75-5.
What is the molecular formula of CBKinase1_005502?
The molecular formula of CBKinase1_005502 is C16H14N2O3S2.
What is the molecular weight of CBKinase1_005502?
The molecular weight of CBKinase1_005502 is 346.04 g/mol.
Where can I buy CBKinase1_005502?
You can request a quote for CBKinase1_005502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005502?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.