![3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/899/899374-81-3.png)
3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 899374-81-3) is a chemical compound with molecular formula C14H10BrN3O2 and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one, 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4-one, 3-[(4-bromophenoxy)methyl]benzo[d]1,2,3-triazin-4-one, A4003/0170657
| Molecular Formula | C14H10BrN3O2 |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 2.5905 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.99564 |
| Heavy Atoms | 20 |
| Complexity | 799.3732 |
Chemical Identifiers
| CAS Number | 899374-81-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=CC=C(C=C3)Br |
Product Overview
3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 899374-81-3), with molecular formula C14H10BrN3O2 and molecular weight 331.00 g/mol. IUPAC: 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.5905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one. With a topological polar surface area (TPSA) of 57.01 Ų, 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one is 899374-81-3.
What is the molecular formula of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one is C14H10BrN3O2.
What is the molecular weight of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one is 331.00 g/mol.
Where can I buy 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(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-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromophenoxy)methyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.