VU0611668-1
TL;DR: VU0611668-1 (CAS 446310-60-7) is a chemical compound with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]benzamide
Also Known As: VU0611668-1, 1-(2-chlorobenzoyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, 2-chloro-N-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl)benzamide, 2-chloro-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]benzamide, 4-[3-(o-chlorobenzoyl)thioureido]-1-methyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H17ClN4O2S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.26462 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.07608 |
| Heavy Atoms | 27 |
| Complexity | 1073.0588 |
Chemical Identifiers
| CAS Number | 446310-60-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl |
Product Overview
VU0611668-1 (CAS 446310-60-7), with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol. IUPAC: 2-chloro-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]benzamide.
Chemical Property Profile of VU0611668-1
Property Insights of VU0611668-1
The XLogP value of 3.26462 indicates that VU0611668-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0611668-1. Following Lipinski's Rule of Five, VU0611668-1 has 2 hydrogen bond donor(s) and 3 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 VU0611668-1?
The CAS number of VU0611668-1 is 446310-60-7.
What is the molecular formula of VU0611668-1?
The molecular formula of VU0611668-1 is C19H17ClN4O2S.
What is the molecular weight of VU0611668-1?
The molecular weight of VU0611668-1 is 400.08 g/mol.
Where can I buy VU0611668-1?
You can request a quote for VU0611668-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611668-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611668-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.