VU0491100-1
TL;DR: VU0491100-1 (CAS 887458-30-2) is a chemical compound with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: VU0491100-1, F2514-0298, 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2,3-dimethylphenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2,3-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one, 5-(2-(azepan-1-yl)-2-oxoethyl)-1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
| Molecular Formula | C21H25N5O2 |
|---|---|
| Molecular Weight | 379.20 g/mol |
| LogP | 2.60164 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.20084 |
| Heavy Atoms | 28 |
| Complexity | 1074.0797 |
Chemical Identifiers
| CAS Number | 887458-30-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCCCC4)C |
Product Overview
VU0491100-1 (CAS 887458-30-2), with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol. IUPAC: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of VU0491100-1
Property Insights of VU0491100-1
The XLogP value of 2.60164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0491100-1. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0491100-1. Following Lipinski's Rule of Five, VU0491100-1 has 0 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 VU0491100-1?
The CAS number of VU0491100-1 is 887458-30-2.
What is the molecular formula of VU0491100-1?
The molecular formula of VU0491100-1 is C21H25N5O2.
What is the molecular weight of VU0491100-1?
The molecular weight of VU0491100-1 is 379.20 g/mol.
Where can I buy VU0491100-1?
You can request a quote for VU0491100-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491100-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491100-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.