3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
TL;DR: 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) (CAS 78219-06-4) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3H-2-benzofuran-1-one;hydrobromide
Also Known As: 3-Aminomethylphthalide hydrobromide, 3-Aminomethylphthalid hydrobromid, Phthalide, 3-aminomethyl-, hydrobromide, 3-Aminomethylphthalid hydrobromid [German], 3-(aminomethyl)-3H-2-benzofuran-1-one hydrobromide
| Molecular Formula | C9H10BrNO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 1.4347 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.98949 |
| Heavy Atoms | 13 |
| Complexity | 327.14566 |
Chemical Identifiers
| CAS Number | 78219-06-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CN.Br |
Product Overview
3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) (CAS 78219-06-4), with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol. IUPAC: 3-(aminomethyl)-3H-2-benzofuran-1-one;hydrobromide.
Chemical Property Profile of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
Property Insights of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)
The XLogP value of 1.4347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1). With a topological polar surface area (TPSA) of 52.32 Ų, 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) 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 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The CAS number of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is 78219-06-4.
What is the molecular formula of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The molecular formula of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is C9H10BrNO2.
What is the molecular weight of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
The molecular weight of 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) is 242.99 g/mol.
Where can I buy 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
You can request a quote for 3-(Aminomethyl)-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)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-2-benzofuran-1(3H)-one--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.