VU0606772-1
TL;DR: VU0606772-1 (CAS 879446-10-3) is a chemical compound with molecular formula C18H17N5O4 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzoate
Also Known As: VU0606772-1, F3235-1330, ethyl 4-(4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzoate, ethyl 4-(1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-4-imidazolino[1,2-h]purin-8-yl) benzoate, ethyl 4-(1,7-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate
| Molecular Formula | C18H17N5O4 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 1.15032 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.12805 |
| Heavy Atoms | 27 |
| Complexity | 1304.261 |
Chemical Identifiers
| CAS Number | 879446-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C |
Product Overview
VU0606772-1 (CAS 879446-10-3), with molecular formula C18H17N5O4 and molecular weight 367.13 g/mol. IUPAC: ethyl 4-(4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzoate.
Chemical Property Profile of VU0606772-1
Property Insights of VU0606772-1
The XLogP value of 1.15032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606772-1. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606772-1. Following Lipinski's Rule of Five, VU0606772-1 has 1 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 VU0606772-1?
The CAS number of VU0606772-1 is 879446-10-3.
What is the molecular formula of VU0606772-1?
The molecular formula of VU0606772-1 is C18H17N5O4.
What is the molecular weight of VU0606772-1?
The molecular weight of VU0606772-1 is 367.13 g/mol.
Where can I buy VU0606772-1?
You can request a quote for VU0606772-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606772-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606772-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.