Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide
TL;DR: Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide (CAS 78219-09-7) is a chemical compound with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(benzylamino)methyl]-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrobromide
Also Known As: 3-Benzylaminomethyl-6,7-dihydroxyphthalide hydrobromide, Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide, 3-Benzylaminomethyl-6,7-dihydroxyphthalidehydrobromide, 3-[(benzylamino)methyl]-6,7-dihydroxy-3H-2-benzofuran-1-one hydrobromide, 3-[(benzylamino)methyl]-6,7-dihydroxy-3H-2-benzofuran-1-one,hydrobromide
| Molecular Formula | C16H16BrNO4 |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 2.677 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.02628 |
| Heavy Atoms | 22 |
| Complexity | 675.34607 |
Chemical Identifiers
| CAS Number | 78219-09-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2C3=C(C(=C(C=C3)O)O)C(=O)O2.Br |
Product Overview
Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide (CAS 78219-09-7), with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol. IUPAC: 3-[(benzylamino)methyl]-6,7-dihydroxy-3H-2-benzofuran-1-one;hydrobromide.
Chemical Property Profile of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide
Property Insights of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide
The XLogP value of 2.677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide. Following Lipinski's Rule of Five, Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide has 3 hydrogen bond donor(s) and 5 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-benzylaminomethyl-6,7-dihydroxy-, hydrobromide?
The CAS number of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide is 78219-09-7.
What is the molecular formula of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide?
The molecular formula of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide is C16H16BrNO4.
What is the molecular weight of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide?
The molecular weight of Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide is 365.03 g/mol.
Where can I buy Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide?
You can request a quote for Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, 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-benzylaminomethyl-6,7-dihydroxy-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Phthalide, 3-benzylaminomethyl-6,7-dihydroxy-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.