VU0611685-1
TL;DR: VU0611685-1 (CAS 690702-50-2) is a chemical compound with molecular formula C20H17N5OS2 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[3,2-d]pyrazole-5-carboxamide
Also Known As: VU0611685-1, F3345-0722, 3-{3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbonyl}-1-[(pyridin-3-yl)methyl]thiourea, 3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[2,3-c]pyrazole-5-carboxamide, 3-methyl-1-phenyl-N-((pyridin-3-ylmethyl)carbamothioyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
| Molecular Formula | C20H17N5OS2 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.59492 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.08746 |
| Heavy Atoms | 28 |
| Complexity | 1135.5948 |
Chemical Identifiers
| CAS Number | 690702-50-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C(S2)C(=O)NC(=S)NCC3=CN=CC=C3)C4=CC=CC=C4 |
Product Overview
VU0611685-1 (CAS 690702-50-2), with molecular formula C20H17N5OS2 and molecular weight 407.09 g/mol. IUPAC: 3-methyl-1-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)thieno[3,2-d]pyrazole-5-carboxamide.
Chemical Property Profile of VU0611685-1
Property Insights of VU0611685-1
The XLogP value of 3.59492 indicates that VU0611685-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0611685-1. Following Lipinski's Rule of Five, VU0611685-1 has 2 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 VU0611685-1?
The CAS number of VU0611685-1 is 690702-50-2.
What is the molecular formula of VU0611685-1?
The molecular formula of VU0611685-1 is C20H17N5OS2.
What is the molecular weight of VU0611685-1?
The molecular weight of VU0611685-1 is 407.09 g/mol.
Where can I buy VU0611685-1?
You can request a quote for VU0611685-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611685-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611685-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.