IDI1_027046
TL;DR: IDI1_027046 (CAS 452935-28-3) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Also Known As: IDI1_027046, BRD-K32515399-001-01-1, (4-oxo-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate, (Z)-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-(3,4,5-trimethoxyphenyl)acrylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.0314 |
| Topological Polar Surface Area | 101.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 1097.6399 |
Chemical Identifiers
| CAS Number | 452935-28-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
IDI1_027046 (CAS 452935-28-3), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of IDI1_027046
Property Insights of IDI1_027046
The XLogP value of 2.0314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_027046. The TPSA of 101.77 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_027046. Following Lipinski's Rule of Five, IDI1_027046 has 0 hydrogen bond donor(s) and 8 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 IDI1_027046?
The CAS number of IDI1_027046 is 452935-28-3.
What is the molecular formula of IDI1_027046?
The molecular formula of IDI1_027046 is C20H19N3O6.
What is the molecular weight of IDI1_027046?
The molecular weight of IDI1_027046 is 397.13 g/mol.
Where can I buy IDI1_027046?
You can request a quote for IDI1_027046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_027046?
Yes, KEHONG BIO provides custom synthesis services for IDI1_027046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.