6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol
TL;DR: 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol (CAS 16526-56-0) is a chemical compound with molecular formula C15H22ClNO2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
Also Known As: Ro 3-3528, KST-1B0865, 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)ethanol hydrochloride(1:1), 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol, 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)ethanol hydrochloride
| Molecular Formula | C15H22ClNO2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 3.50284 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.1339 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 16526-56-0 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C=C(O2)C(CNC(C)C)O)C.Cl |
| InChIKey | FRROHJREDWNRNQ-UHFFFAOYSA-N |
Product Overview
6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol (CAS 16526-56-0), with molecular formula C15H22ClNO2 and molecular weight 283.13 g/mol. IUPAC: 1-(6,7-dimethyl-1-benzofuran-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.
Chemical Property Profile of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol
Property Insights of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol
The XLogP value of 3.50284 indicates that 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol has 3 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 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol?
The CAS number of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol is 16526-56-0.
What is the molecular formula of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol?
The molecular formula of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol is C15H22ClNO2.
What is the molecular weight of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol?
The molecular weight of 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol is 283.13 g/mol.
Where can I buy 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol?
You can request a quote for 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethyl-alpha-(isopropylaminomethyl)-2-benzofuranmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.