CBKinase1_004323
TL;DR: CBKinase1_004323 (CAS 374602-13-8) is a chemical compound with molecular formula C21H16N2O3S2 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
Also Known As: CBKinase1_004323, CBKinase1_016723, BRD-K82243688-001-01-9, 2-((4-oxo-3-phenyl-5-(p-tolyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid, 2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
| Molecular Formula | C21H16N2O3S2 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 4.59932 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.06024 |
| Heavy Atoms | 28 |
| Complexity | 1212.3685 |
Chemical Identifiers
| CAS Number | 374602-13-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4 |
Product Overview
CBKinase1_004323 (CAS 374602-13-8), with molecular formula C21H16N2O3S2 and molecular weight 408.06 g/mol. IUPAC: 2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of CBKinase1_004323
Property Insights of CBKinase1_004323
The XLogP value of 4.59932 indicates that CBKinase1_004323 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_004323. Following Lipinski's Rule of Five, CBKinase1_004323 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_004323?
The CAS number of CBKinase1_004323 is 374602-13-8.
What is the molecular formula of CBKinase1_004323?
The molecular formula of CBKinase1_004323 is C21H16N2O3S2.
What is the molecular weight of CBKinase1_004323?
The molecular weight of CBKinase1_004323 is 408.06 g/mol.
Where can I buy CBKinase1_004323?
You can request a quote for CBKinase1_004323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004323?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.