VU0606773-1
TL;DR: VU0606773-1 (CAS 896596-63-7) is a chemical compound with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(3-hydroxypropyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: VU0606773-1, F3235-1331, ethyl 4-(3-(3-hydroxypropyl)-1,7-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, ethyl 4-[2-(3-hydroxypropyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate, ethyl 4-[3-(3-hydroxypropyl)-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
| Molecular Formula | C21H23N5O5 |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 1.00612 |
| Topological Polar Surface Area | 112.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.16992 |
| Heavy Atoms | 31 |
| Complexity | 1404.9596 |
Chemical Identifiers
| CAS Number | 896596-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C |
Product Overview
VU0606773-1 (CAS 896596-63-7), with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol. IUPAC: ethyl 4-[2-(3-hydroxypropyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of VU0606773-1
Property Insights of VU0606773-1
The XLogP value of 1.00612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606773-1. The TPSA of 112.76 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606773-1. Following Lipinski's Rule of Five, VU0606773-1 has 1 hydrogen bond donor(s) and 6 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 VU0606773-1?
The CAS number of VU0606773-1 is 896596-63-7.
What is the molecular formula of VU0606773-1?
The molecular formula of VU0606773-1 is C21H23N5O5.
What is the molecular weight of VU0606773-1?
The molecular weight of VU0606773-1 is 425.17 g/mol.
Where can I buy VU0606773-1?
You can request a quote for VU0606773-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606773-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606773-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.