CBKinase1_001809
TL;DR: CBKinase1_001809 (CAS 488707-36-4) is a chemical compound with molecular formula C16H12Cl2N2O3S2 and molecular weight 413.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
Also Known As: CBKinase1_001809, CBKinase1_014209, BRD-K73181408-001-01-1, {[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, {[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]thio}acetic acid
| Molecular Formula | C16H12Cl2N2O3S2 |
|---|---|
| Molecular Weight | 413.97 g/mol |
| LogP | 4.54754 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.96664 |
| Heavy Atoms | 25 |
| Complexity | 1059.695 |
Chemical Identifiers
| CAS Number | 488707-36-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC(=C(C=C3)Cl)Cl)C |
Product Overview
CBKinase1_001809 (CAS 488707-36-4), with molecular formula C16H12Cl2N2O3S2 and molecular weight 413.97 g/mol. IUPAC: 2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of CBKinase1_001809
Property Insights of CBKinase1_001809
The XLogP value of 4.54754 indicates that CBKinase1_001809 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_001809. Following Lipinski's Rule of Five, CBKinase1_001809 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_001809?
The CAS number of CBKinase1_001809 is 488707-36-4.
What is the molecular formula of CBKinase1_001809?
The molecular formula of CBKinase1_001809 is C16H12Cl2N2O3S2.
What is the molecular weight of CBKinase1_001809?
The molecular weight of CBKinase1_001809 is 413.97 g/mol.
Where can I buy CBKinase1_001809?
You can request a quote for CBKinase1_001809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001809?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.