VU0611678-1
TL;DR: VU0611678-1 (CAS 690696-18-5) is a chemical compound with molecular formula C21H18N4OS2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Also Known As: VU0611678-1, F3345-0698, 3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbonyl}-1-(4-methylphenyl)thiourea, 3-methyl-1-phenyl-N-(p-tolylcarbamothioyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide, 3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
| Molecular Formula | C21H18N4OS2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 4.83064 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0922 |
| Heavy Atoms | 28 |
| Complexity | 1160.5691 |
Chemical Identifiers
| CAS Number | 690696-18-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4 |
Product Overview
VU0611678-1 (CAS 690696-18-5), with molecular formula C21H18N4OS2 and molecular weight 406.09 g/mol. IUPAC: 3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
Chemical Property Profile of VU0611678-1
Property Insights of VU0611678-1
The XLogP value of 4.83064 indicates that VU0611678-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, VU0611678-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0611678-1 has 2 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 VU0611678-1?
The CAS number of VU0611678-1 is 690696-18-5.
What is the molecular formula of VU0611678-1?
The molecular formula of VU0611678-1 is C21H18N4OS2.
What is the molecular weight of VU0611678-1?
The molecular weight of VU0611678-1 is 406.09 g/mol.
Where can I buy VU0611678-1?
You can request a quote for VU0611678-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611678-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611678-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.