3-Aminotyramine
TL;DR: 3-Aminotyramine (CAS 86349-59-9) is a chemical compound with molecular formula C18H17ClFNO4 and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorobenzoate
Also Known As: 3-Aminotyramine, Ro 16-5580, Ro-16-5580, propan-2-yl 2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2h-isoindol-2-yl)-4-fluorobenzoate, Benzoic acid, 2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 1-methylethyl ester
| Molecular Formula | C18H17ClFNO4 |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.083 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 86349-59-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)C3=C(C2=O)CCCC3 |
| InChIKey | LKXJESTUTBOTSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Aminotyramine (CAS 86349-59-9), with molecular formula C18H17ClFNO4 and molecular weight 365.08 g/mol. IUPAC: propan-2-yl 2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorobenzoate.
Chemical Property Profile of 3-Aminotyramine
Property Insights of 3-Aminotyramine
The XLogP value of 3.8 indicates that 3-Aminotyramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminotyramine. Following Lipinski's Rule of Five, 3-Aminotyramine has 0 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-Aminotyramine?
The CAS number of 3-Aminotyramine is 86349-59-9.
What is the molecular formula of 3-Aminotyramine?
The molecular formula of 3-Aminotyramine is C18H17ClFNO4.
What is the molecular weight of 3-Aminotyramine?
The molecular weight of 3-Aminotyramine is 365.08 g/mol.
Where can I buy 3-Aminotyramine?
You can request a quote for 3-Aminotyramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminotyramine?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminotyramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.