VU0611558-1
TL;DR: VU0611558-1 (CAS 899399-50-9) is a chemical compound with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Also Known As: VU0611558-1, F3345-0253, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,7-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
| Molecular Formula | C21H18N4O4 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 2.51812 |
| Topological Polar Surface Area | 86.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.1328 |
| Heavy Atoms | 29 |
| Complexity | 1352.5499 |
Chemical Identifiers
| CAS Number | 899399-50-9 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(N3C)C(=O)NC4=CC5=C(C=C4)OCCO5)C=C1 |
Product Overview
VU0611558-1 (CAS 899399-50-9), with molecular formula C21H18N4O4 and molecular weight 390.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
Chemical Property Profile of VU0611558-1
Property Insights of VU0611558-1
The XLogP value of 2.51812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0611558-1. The TPSA of 86.86 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0611558-1. Following Lipinski's Rule of Five, VU0611558-1 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 VU0611558-1?
The CAS number of VU0611558-1 is 899399-50-9.
What is the molecular formula of VU0611558-1?
The molecular formula of VU0611558-1 is C21H18N4O4.
What is the molecular weight of VU0611558-1?
The molecular weight of VU0611558-1 is 390.13 g/mol.
Where can I buy VU0611558-1?
You can request a quote for VU0611558-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611558-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611558-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.