Isamoltan
TL;DR: Isamoltan (CAS 6622-06-6) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol
Also Known As: Isamoltan, Isamoltane, Isamoltanum, Isamoltan [INN], Isamoltanum [Latin]
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6622-06-6 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O |
| InChIKey | XVTVPGKWYHWYAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isamoltan (CAS 6622-06-6), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol.
Chemical Property Profile of Isamoltan
Property Insights of Isamoltan
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isamoltan. With a topological polar surface area (TPSA) of 46.4 Ų, Isamoltan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isamoltan has 2 hydrogen bond donor(s) and 3 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 Isamoltan?
The CAS number of Isamoltan is 6622-06-6.
What is the molecular formula of Isamoltan?
The molecular formula of Isamoltan is C16H22N2O2.
What is the molecular weight of Isamoltan?
The molecular weight of Isamoltan is 274.17 g/mol.
Where can I buy Isamoltan?
You can request a quote for Isamoltan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isamoltan?
Yes, KEHONG BIO provides custom synthesis services for Isamoltan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.