CBKinase1_004324
TL;DR: CBKinase1_004324 (CAS 691369-69-4) is a chemical compound with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004324, CBKinase1_016724, BRD-K42444720-001-01-2, F1411-0195, N,N-dimethyl-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C14H17N3O2S2 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07623 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 691369-69-4 |
|---|---|
| SMILES | CN(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1 |
| InChIKey | XVTRJTYMUMHXRW-UHFFFAOYSA-N |
Product Overview
CBKinase1_004324 (CAS 691369-69-4), with molecular formula C14H17N3O2S2 and molecular weight 323.08 g/mol. IUPAC: N,N-dimethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004324
Property Insights of CBKinase1_004324
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004324. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004324. Following Lipinski's Rule of Five, CBKinase1_004324 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_004324?
The CAS number of CBKinase1_004324 is 691369-69-4.
What is the molecular formula of CBKinase1_004324?
The molecular formula of CBKinase1_004324 is C14H17N3O2S2.
What is the molecular weight of CBKinase1_004324?
The molecular weight of CBKinase1_004324 is 323.08 g/mol.
Where can I buy CBKinase1_004324?
You can request a quote for CBKinase1_004324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004324?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.