CBKinase1_009630
TL;DR: CBKinase1_009630 (CAS 332931-85-8) is a chemical compound with molecular formula C19H18ClN3O2S2 and molecular weight 419.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_009630, CBKinase1_022030, BAS 01906608, BRD-K88235574-001-01-6, N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C19H18ClN3O2S2 |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 4.258 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.0529 |
| Heavy Atoms | 27 |
| Complexity | 1073.2336 |
Chemical Identifiers
| CAS Number | 332931-85-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)Cl)SC4=C2CCCC4 |
Product Overview
CBKinase1_009630 (CAS 332931-85-8), with molecular formula C19H18ClN3O2S2 and molecular weight 419.05 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_009630
Property Insights of CBKinase1_009630
The XLogP value of 4.258 indicates that CBKinase1_009630 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009630. Following Lipinski's Rule of Five, CBKinase1_009630 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_009630?
The CAS number of CBKinase1_009630 is 332931-85-8.
What is the molecular formula of CBKinase1_009630?
The molecular formula of CBKinase1_009630 is C19H18ClN3O2S2.
What is the molecular weight of CBKinase1_009630?
The molecular weight of CBKinase1_009630 is 419.05 g/mol.
Where can I buy CBKinase1_009630?
You can request a quote for CBKinase1_009630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009630?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.