5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-
TL;DR: 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- (CAS 69405-60-3) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol
Also Known As: 2-Chloro-4-(dimethylaminomethyl)-3-phenyl-5-benzofuranol, 5-BENZOFURANOL, 2-CHLORO-4-(DIMETHYLAMINOMETHYL)-3-PHENYL-, 2-chloro-4-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-1-benzofuran-5-ol, 2-Chloro-4-(dimethylaminomethyl)-3-phenylbenzofuran-5-ol
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 36.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 69405-60-3 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1C(=C(O2)Cl)C3=CC=CC=C3)O |
| InChIKey | GGFWLXAYCVAJLJ-UHFFFAOYSA-N |
Product Overview
5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- (CAS 69405-60-3), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: 2-chloro-4-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-5-ol.
Chemical Property Profile of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-
Property Insights of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-
The XLogP value of 4.4 indicates that 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.6 Ų, 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- has 1 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 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-?
The CAS number of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- is 69405-60-3.
What is the molecular formula of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-?
The molecular formula of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- is C17H16ClNO2.
What is the molecular weight of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-?
The molecular weight of 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- is 301.09 g/mol.
Where can I buy 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-?
You can request a quote for 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranol, 2-chloro-4-(dimethylaminomethyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.