3-(3-Bromopropoxy)-aniline
TL;DR: 3-(3-Bromopropoxy)-aniline (CAS 79668-77-2) is a chemical compound with molecular formula C9H12BrNO and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromopropoxy)aniline
Also Known As: 3-(3-bromopropoxy)aniline, 3-(3-bromopropoxy)-aniline, 3-(3-Bromopropoxy)benzenamine, 3-(3-bromo-propyloxy)-aniline
| Molecular Formula | C9H12BrNO |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.01022 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 79668-77-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCBr)N |
| InChIKey | ACYSDCATMPECGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Bromopropoxy)-aniline (CAS 79668-77-2), with molecular formula C9H12BrNO and molecular weight 229.01 g/mol. IUPAC: 3-(3-bromopropoxy)aniline.
Chemical Property Profile of 3-(3-Bromopropoxy)-aniline
Property Insights of 3-(3-Bromopropoxy)-aniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromopropoxy)-aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(3-Bromopropoxy)-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromopropoxy)-aniline has 1 hydrogen bond donor(s) and 2 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-(3-Bromopropoxy)-aniline?
The CAS number of 3-(3-Bromopropoxy)-aniline is 79668-77-2.
What is the molecular formula of 3-(3-Bromopropoxy)-aniline?
The molecular formula of 3-(3-Bromopropoxy)-aniline is C9H12BrNO.
What is the molecular weight of 3-(3-Bromopropoxy)-aniline?
The molecular weight of 3-(3-Bromopropoxy)-aniline is 229.01 g/mol.
Where can I buy 3-(3-Bromopropoxy)-aniline?
You can request a quote for 3-(3-Bromopropoxy)-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromopropoxy)-aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromopropoxy)-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.