VU0606768-1
TL;DR: VU0606768-1 (CAS 899400-95-4) is a chemical compound with molecular formula C18H16ClN5O4 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(4-chlorophenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
Also Known As: VU0606768-1, F3235-1307, methyl 2-(8-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-[6-(4-chlorophenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate, methyl 2-[8-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetate
| Molecular Formula | C18H16ClN5O4 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 1.27342 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.08908 |
| Heavy Atoms | 28 |
| Complexity | 1357.6301 |
Chemical Identifiers
| CAS Number | 899400-95-4 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)Cl)N(C(=O)N(C3=O)CC(=O)OC)C |
Product Overview
VU0606768-1 (CAS 899400-95-4), with molecular formula C18H16ClN5O4 and molecular weight 401.09 g/mol. IUPAC: methyl 2-[6-(4-chlorophenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate.
Chemical Property Profile of VU0606768-1
Property Insights of VU0606768-1
The XLogP value of 1.27342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606768-1. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606768-1. Following Lipinski's Rule of Five, VU0606768-1 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 VU0606768-1?
The CAS number of VU0606768-1 is 899400-95-4.
What is the molecular formula of VU0606768-1?
The molecular formula of VU0606768-1 is C18H16ClN5O4.
What is the molecular weight of VU0606768-1?
The molecular weight of VU0606768-1 is 401.09 g/mol.
Where can I buy VU0606768-1?
You can request a quote for VU0606768-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606768-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606768-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.