Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide
TL;DR: Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide (CAS 78219-07-5) 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)-5-hydroxy-3H-2-benzofuran-1-one;hydrobromide
Also Known As: 3-Aminomethyl-5-hydroxyphthalide hydrobromide, Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide, 3-(aminomethyl)-5-hydroxy-3H-2-benzofuran-1-one hydrobromide, 3-(aminomethyl)-5-hydroxy-3H-2-benzofuran-1-one,hydrobromide, 1(3H)-Isobenzofuranone, 3-(aminomethyl)-5-hydroxy-, 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 | 78219-07-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(OC2=O)CN.Br |
Product Overview
Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide (CAS 78219-07-5), with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol. IUPAC: 3-(aminomethyl)-5-hydroxy-3H-2-benzofuran-1-one;hydrobromide.
Chemical Property Profile of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide
Property Insights of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide
The XLogP value of 1.1403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide. Following Lipinski's Rule of Five, Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide 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 Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide?
The CAS number of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide is 78219-07-5.
What is the molecular formula of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide?
The molecular formula of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide is C9H10BrNO3.
What is the molecular weight of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide?
The molecular weight of Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide is 258.98 g/mol.
Where can I buy Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide?
You can request a quote for Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Phthalide, 3-aminomethyl-5-hydroxy-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.