CBKinase1_006377
TL;DR: CBKinase1_006377 (CAS 701246-37-9) is a chemical compound with molecular formula C21H22FN3O3S2 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Also Known As: CBKinase1_006377, CBKinase1_018777, BRD-A43765316-001-01-1, 2-[3-(4-fluorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide, 2-{[3-(4-fluorophenyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydrofuran-2-ylmethyl)acetamide
| Molecular Formula | C21H22FN3O3S2 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 3.59044 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.10867 |
| Heavy Atoms | 30 |
| Complexity | 1135.0895 |
Chemical Identifiers
| CAS Number | 701246-37-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)F)C |
Product Overview
CBKinase1_006377 (CAS 701246-37-9), with molecular formula C21H22FN3O3S2 and molecular weight 447.11 g/mol. IUPAC: 2-[3-(4-fluorophenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of CBKinase1_006377
Property Insights of CBKinase1_006377
The XLogP value of 3.59044 indicates that CBKinase1_006377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006377. Following Lipinski's Rule of Five, CBKinase1_006377 has 1 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_006377?
The CAS number of CBKinase1_006377 is 701246-37-9.
What is the molecular formula of CBKinase1_006377?
The molecular formula of CBKinase1_006377 is C21H22FN3O3S2.
What is the molecular weight of CBKinase1_006377?
The molecular weight of CBKinase1_006377 is 447.11 g/mol.
Where can I buy CBKinase1_006377?
You can request a quote for CBKinase1_006377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006377?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.