(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
TL;DR: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 879167-95-0) is a chemical compound with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Also Known As: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
| Molecular Formula | C19H17N5O4 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 2.3256 |
| Topological Polar Surface Area | 121.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.12805 |
| Heavy Atoms | 28 |
| Complexity | 996.8691 |
Chemical Identifiers
| CAS Number | 879167-95-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N |
Product Overview
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CAS 879167-95-0), with molecular formula C19H17N5O4 and molecular weight 379.13 g/mol. IUPAC: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
Chemical Property Profile of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
Property Insights of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
The XLogP value of 2.3256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. The TPSA of 121.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate. Following Lipinski's Rule of Five, (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has 2 hydrogen bond donor(s) and 9 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 (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The CAS number of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 879167-95-0.
What is the molecular formula of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular formula of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is C19H17N5O4.
What is the molecular weight of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The molecular weight of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is 379.13 g/mol.
Where can I buy (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
You can request a quote for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.