VU0606698-1
TL;DR: VU0606698-1 (CAS 844451-36-1) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-ethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: VU0606698-1, 9-(4-ethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, F3235-0669, 9-(4-ethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(4-ethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1,3,5-trihydro-6H,7H,8H-1, 3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 1.4656 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1175.3005 |
Chemical Identifiers
| CAS Number | 844451-36-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C |
Product Overview
VU0606698-1 (CAS 844451-36-1), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 9-(4-ethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of VU0606698-1
Property Insights of VU0606698-1
The XLogP value of 1.4656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606698-1. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606698-1. Following Lipinski's Rule of Five, VU0606698-1 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 VU0606698-1?
The CAS number of VU0606698-1 is 844451-36-1.
What is the molecular formula of VU0606698-1?
The molecular formula of VU0606698-1 is C21H27N5O4.
What is the molecular weight of VU0606698-1?
The molecular weight of VU0606698-1 is 413.21 g/mol.
Where can I buy VU0606698-1?
You can request a quote for VU0606698-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606698-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606698-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.