VU0492613-1
TL;DR: VU0492613-1 (CAS 887197-39-9) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
Also Known As: VU0492613-1, F3124-0975, 10-(4-ethoxyphenyl)-1-methyl-3-propyl-1,3,5-trihydro-6H,7H,8H,9H-1,3-diazaperh ydroepino[1,2-h]purine-2,4-dione, 10-(4-ethoxyphenyl)-1-methyl-3-propyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione, 10-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.6373 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1140.3086 |
Chemical Identifiers
| CAS Number | 887197-39-9 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(N=C3N2CCCCN3C4=CC=C(C=C4)OCC)N(C1=O)C |
Product Overview
VU0492613-1 (CAS 887197-39-9), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 10-(4-ethoxyphenyl)-1-methyl-3-propyl-6,7,8,9-tetrahydropurino[7,8-a][1,3]diazepine-2,4-dione.
Chemical Property Profile of VU0492613-1
Property Insights of VU0492613-1
The XLogP value of 2.6373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0492613-1. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0492613-1. Following Lipinski's Rule of Five, VU0492613-1 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 VU0492613-1?
The CAS number of VU0492613-1 is 887197-39-9.
What is the molecular formula of VU0492613-1?
The molecular formula of VU0492613-1 is C21H27N5O3.
What is the molecular weight of VU0492613-1?
The molecular weight of VU0492613-1 is 397.21 g/mol.
Where can I buy VU0492613-1?
You can request a quote for VU0492613-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0492613-1?
Yes, KEHONG BIO provides custom synthesis services for VU0492613-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.