VU0498314-1
TL;DR: VU0498314-1 (CAS 899756-17-3) is a chemical compound with molecular formula C22H28N4O2S and molecular weight 412.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cycloheptyl-N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
Also Known As: VU0498314-1, F2780-0640, N'-cycloheptyl-N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]ethanediamide, N-cycloheptyl-N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide, N1-cycloheptyl-N2-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)oxalamide
| Molecular Formula | C22H28N4O2S |
|---|---|
| Molecular Weight | 412.19 g/mol |
| LogP | 4.01344 |
| Topological Polar Surface Area | 76.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.1933 |
| Heavy Atoms | 29 |
| Complexity | 929.1337 |
Chemical Identifiers
| CAS Number | 899756-17-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C(=O)NC4CCCCCC4)C |
Product Overview
VU0498314-1 (CAS 899756-17-3), with molecular formula C22H28N4O2S and molecular weight 412.19 g/mol. IUPAC: N-cycloheptyl-N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide.
Chemical Property Profile of VU0498314-1
Property Insights of VU0498314-1
The XLogP value of 4.01344 indicates that VU0498314-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.02 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0498314-1. Following Lipinski's Rule of Five, VU0498314-1 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 VU0498314-1?
The CAS number of VU0498314-1 is 899756-17-3.
What is the molecular formula of VU0498314-1?
The molecular formula of VU0498314-1 is C22H28N4O2S.
What is the molecular weight of VU0498314-1?
The molecular weight of VU0498314-1 is 412.19 g/mol.
Where can I buy VU0498314-1?
You can request a quote for VU0498314-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0498314-1?
Yes, KEHONG BIO provides custom synthesis services for VU0498314-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.