![3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate structure](/static/products/457/457933-81-2.png)
3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate
TL;DR: 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate (CAS 457933-81-2) is a chemical compound with molecular formula C18H16BrN3O2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(6-bromoquinazolin-4-yl)amino]phenyl] butanoate
Also Known As: 3-((6-bromoquinazolin-4-yl)amino)phenyl butyrate, 3-[(6-bromoquinazolin-4-yl)amino]phenyl butanoate, [3-[(6-bromoquinazolin-4-yl)amino]phenyl] butanoate
| Molecular Formula | C18H16BrN3O2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 4.8414 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.0426 |
| Heavy Atoms | 24 |
| Complexity | 883.0218 |
Chemical Identifiers
| CAS Number | 457933-81-2 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)Br |
Product Overview
3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate (CAS 457933-81-2), with molecular formula C18H16BrN3O2 and molecular weight 385.04 g/mol. IUPAC: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] butanoate.
Chemical Property Profile of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate
Property Insights of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate
The XLogP value of 4.8414 indicates that 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate. Following Lipinski's Rule of Five, 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate 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 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate?
The CAS number of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate is 457933-81-2.
What is the molecular formula of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate?
The molecular formula of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate is C18H16BrN3O2.
What is the molecular weight of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate?
The molecular weight of 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate is 385.04 g/mol.
Where can I buy 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate?
You can request a quote for 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Bromoquinazolin-4-yl)amino]phenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.