6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-
TL;DR: 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- (CAS 69405-93-2) is a chemical compound with molecular formula C22H17Br2NO2 and molecular weight 484.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(benzylamino)methyl]-2,5-dibromo-3-phenyl-1-benzofuran-6-ol
Also Known As: 7-(Benzylaminomethyl)-2,5-dibromo-3-phenyl-6-benzofuranol, 2,5-Dibromo-3-phenyl-6-hydroxy-7-benzylaminomethylbenzofuran, 6-BENZOFURANOL, 7-(BENZYLAMINOMETHYL)-2,5-DIBROMO-3-PHENYL-, 7-[(benzylamino)methyl]-2,5-dibromo-3-phenyl-1-benzofuran-6-ol, 7-(Benzylaminomethyl)-2,5-dibromo-3-phenylbenzofuran-6-ol
| Molecular Formula | C22H17Br2NO2 |
|---|---|
| Molecular Weight | 484.96 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.96054 |
| Heavy Atoms | 27 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 69405-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2=C3C(=CC(=C2O)Br)C(=C(O3)Br)C4=CC=CC=C4 |
| InChIKey | WVYAYNJQTKPPAQ-UHFFFAOYSA-N |
Product Overview
6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- (CAS 69405-93-2), with molecular formula C22H17Br2NO2 and molecular weight 484.96 g/mol. IUPAC: 7-[(benzylamino)methyl]-2,5-dibromo-3-phenyl-1-benzofuran-6-ol.
Chemical Property Profile of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-
Property Insights of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-
The XLogP value of 6.7 indicates that 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- 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-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-?
The CAS number of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- is 69405-93-2.
What is the molecular formula of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-?
The molecular formula of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- is C22H17Br2NO2.
What is the molecular weight of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-?
The molecular weight of 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- is 484.96 g/mol.
Where can I buy 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-?
You can request a quote for 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzofuranol, 7-(benzylaminomethyl)-2,5-dibromo-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.