VU0647112-1
TL;DR: VU0647112-1 (CAS 838100-98-4) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: VU0647112-1, F5557-0050, 2-{[3-(1H-1,3-benzodiazol-2-yl)pyridin-2-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one, 2-((3-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 3.9755 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 881.825 |
Chemical Identifiers
| CAS Number | 838100-98-4 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3 |
Product Overview
VU0647112-1 (CAS 838100-98-4), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of VU0647112-1
Property Insights of VU0647112-1
The XLogP value of 3.9755 indicates that VU0647112-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0647112-1. Following Lipinski's Rule of Five, VU0647112-1 has 1 hydrogen bond donor(s) and 4 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 VU0647112-1?
The CAS number of VU0647112-1 is 838100-98-4.
What is the molecular formula of VU0647112-1?
The molecular formula of VU0647112-1 is C20H22N4OS.
What is the molecular weight of VU0647112-1?
The molecular weight of VU0647112-1 is 366.15 g/mol.
Where can I buy VU0647112-1?
You can request a quote for VU0647112-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0647112-1?
Yes, KEHONG BIO provides custom synthesis services for VU0647112-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.