CBKinase1_005755
TL;DR: CBKinase1_005755 (CAS 499133-86-7) is a chemical compound with molecular formula C18H16N4S2 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: CBKinase1_005755, CBKinase1_018155, AO-364/41189783, BRD-K47704520-001-01-6, 4-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C18H16N4S2 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 4.7387 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.08163 |
| Heavy Atoms | 24 |
| Complexity | 1001.0424 |
Chemical Identifiers
| CAS Number | 499133-86-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=NC5=CC=CC=C5N4 |
Product Overview
CBKinase1_005755 (CAS 499133-86-7), with molecular formula C18H16N4S2 and molecular weight 352.08 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of CBKinase1_005755
Property Insights of CBKinase1_005755
The XLogP value of 4.7387 indicates that CBKinase1_005755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, CBKinase1_005755 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005755 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_005755?
The CAS number of CBKinase1_005755 is 499133-86-7.
What is the molecular formula of CBKinase1_005755?
The molecular formula of CBKinase1_005755 is C18H16N4S2.
What is the molecular weight of CBKinase1_005755?
The molecular weight of CBKinase1_005755 is 352.08 g/mol.
Where can I buy CBKinase1_005755?
You can request a quote for CBKinase1_005755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005755?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.