![3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one structure](/static/products/905/905428-21-9.png)
3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one
TL;DR: 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one (CAS 905428-21-9) is a chemical compound with molecular formula C17H12Cl2N6O2 and molecular weight 402.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-amino-6-(2-chloroanilino)-1,3,5-triazin-2-yl]methyl]-5-chloro-1,3-benzoxazol-2-one
Also Known As: 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one, 3-((4-amino-6-((2-chlorophenyl)amino)-1,3,5-triazin-2-yl)methyl)-5-chlorobenzo[d]oxazol-2(3H)-one, 3-[[4-amino-6-(2-chloroanilino)-1,3,5-triazin-2-yl]methyl]-5-chloro-1,3-benzoxazol-2-one
| Molecular Formula | C17H12Cl2N6O2 |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | 3.4604 |
| Topological Polar Surface Area | 111.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0399 |
| Heavy Atoms | 27 |
| Complexity | 1203.721 |
Chemical Identifiers
| CAS Number | 905428-21-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=NC(=NC(=N2)N)CN3C4=C(C=CC(=C4)Cl)OC3=O)Cl |
Product Overview
3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one (CAS 905428-21-9), with molecular formula C17H12Cl2N6O2 and molecular weight 402.04 g/mol. IUPAC: 3-[[4-amino-6-(2-chloroanilino)-1,3,5-triazin-2-yl]methyl]-5-chloro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one
Property Insights of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.4604 indicates that 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one has 2 hydrogen bond donor(s) and 7 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 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one is 905428-21-9.
What is the molecular formula of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one is C17H12Cl2N6O2.
What is the molecular weight of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one is 402.04 g/mol.
Where can I buy 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-({4-amino-6-[(2-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl)-5-chloro-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.