3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
TL;DR: 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) (CAS 78219-08-6) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-6-hydroxy-3H-2-benzofuran-1-one;hydrobromide
Also Known As: 3-Aminomethyl-6-hydroxyphthalide hydrobromide, Phthalide, 3-aminomethyl-6-hydroxy-, hydrobromide, 3-(aminomethyl)-6-hydroxy-3H-2-benzofuran-1-one,hydrobromide, 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1), 3-(aminomethyl)-6-hydroxy-3H-2-benzofuran-1-one hydrobromide
| Molecular Formula | C9H10BrNO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 1.1403 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.9844 |
| Heavy Atoms | 14 |
| Complexity | 367.07474 |
Chemical Identifiers
| CAS Number | 78219-08-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=O)OC2CN.Br |
Product Overview
3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) (CAS 78219-08-6), with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol. IUPAC: 3-(aminomethyl)-6-hydroxy-3H-2-benzofuran-1-one;hydrobromide.
Chemical Property Profile of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
Property Insights of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
The XLogP value of 1.1403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1). The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1). Following Lipinski's Rule of Five, 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) has 2 hydrogen bond donor(s) and 4 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-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The CAS number of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is 78219-08-6.
What is the molecular formula of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The molecular formula of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is C9H10BrNO3.
What is the molecular weight of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The molecular weight of 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is 258.98 g/mol.
Where can I buy 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
You can request a quote for 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-6-hydroxy-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.