CBKinase1_001731
TL;DR: CBKinase1_001731 (CAS 380474-63-5) is a chemical compound with molecular formula C22H22N4OS2 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: CBKinase1_001731, CBKinase1_014131, BAS 03373823, BRD-K85481712-001-01-2, 2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H22N4OS2 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 5.0815 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1235 |
| Heavy Atoms | 29 |
| Complexity | 1264.6206 |
Chemical Identifiers
| CAS Number | 380474-63-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC5=C2CCCC5 |
Product Overview
CBKinase1_001731 (CAS 380474-63-5), with molecular formula C22H22N4OS2 and molecular weight 422.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of CBKinase1_001731
Property Insights of CBKinase1_001731
The XLogP value of 5.0815 indicates that CBKinase1_001731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001731. Following Lipinski's Rule of Five, CBKinase1_001731 has 1 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_001731?
The CAS number of CBKinase1_001731 is 380474-63-5.
What is the molecular formula of CBKinase1_001731?
The molecular formula of CBKinase1_001731 is C22H22N4OS2.
What is the molecular weight of CBKinase1_001731?
The molecular weight of CBKinase1_001731 is 422.12 g/mol.
Where can I buy CBKinase1_001731?
You can request a quote for CBKinase1_001731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001731?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.