VU0606630-1
TL;DR: VU0606630-1 (CAS 896077-52-4) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]acetate
Also Known As: VU0606630-1, F3235-0103, methyl 2-(1,6,7-trimethyl-2,4-dioxo-8-phenethyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-phenethylpurino[7,8-a]imidazol-2-yl)acetate, methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]acetate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.18194 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1388.7874 |
Chemical Identifiers
| CAS Number | 896077-52-4 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)OC)C)C |
Product Overview
VU0606630-1 (CAS 896077-52-4), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: methyl 2-[4,7,8-trimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of VU0606630-1
Property Insights of VU0606630-1
The XLogP value of 1.18194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606630-1. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606630-1. Following Lipinski's Rule of Five, VU0606630-1 has 0 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 VU0606630-1?
The CAS number of VU0606630-1 is 896077-52-4.
What is the molecular formula of VU0606630-1?
The molecular formula of VU0606630-1 is C21H23N5O4.
What is the molecular weight of VU0606630-1?
The molecular weight of VU0606630-1 is 409.18 g/mol.
Where can I buy VU0606630-1?
You can request a quote for VU0606630-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606630-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606630-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.