CBKinase1_005898
TL;DR: CBKinase1_005898 (CAS 328108-45-8) is a chemical compound with molecular formula C19H17ClN2OS2 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: CBKinase1_005898, CBKinase1_018298, BAS 04453916, AF-399/37374002, BRD-K11797239-001-01-4
| Molecular Formula | C19H17ClN2OS2 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 5.50692 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.0471 |
| Heavy Atoms | 25 |
| Complexity | 950.20764 |
Chemical Identifiers
| CAS Number | 328108-45-8 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_005898 (CAS 328108-45-8), with molecular formula C19H17ClN2OS2 and molecular weight 388.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_005898
Property Insights of CBKinase1_005898
The XLogP value of 5.50692 indicates that CBKinase1_005898 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, CBKinase1_005898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005898 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005898?
The CAS number of CBKinase1_005898 is 328108-45-8.
What is the molecular formula of CBKinase1_005898?
The molecular formula of CBKinase1_005898 is C19H17ClN2OS2.
What is the molecular weight of CBKinase1_005898?
The molecular weight of CBKinase1_005898 is 388.05 g/mol.
Where can I buy CBKinase1_005898?
You can request a quote for CBKinase1_005898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005898?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.