VU0512100-1
TL;DR: VU0512100-1 (CAS 941970-91-8) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
Also Known As: VU0512100-1, F3167-0890, 2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide, 2-((4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(4-methylbenzyl)acetamide, 2-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 3.56626 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1042.3927 |
Chemical Identifiers
| CAS Number | 941970-91-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)C)C |
Product Overview
VU0512100-1 (CAS 941970-91-8), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 2-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
Chemical Property Profile of VU0512100-1
Property Insights of VU0512100-1
The XLogP value of 3.56626 indicates that VU0512100-1 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 VU0512100-1. Following Lipinski's Rule of Five, VU0512100-1 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 VU0512100-1?
The CAS number of VU0512100-1 is 941970-91-8.
What is the molecular formula of VU0512100-1?
The molecular formula of VU0512100-1 is C22H23N3O2S.
What is the molecular weight of VU0512100-1?
The molecular weight of VU0512100-1 is 393.15 g/mol.
Where can I buy VU0512100-1?
You can request a quote for VU0512100-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512100-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512100-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.