5-Bromophthalide
TL;DR: 5-Bromophthalide (CAS 64169-35-3) is a chemical compound with molecular formula C8H5BrO2 and molecular weight 211.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3H-2-benzofuran-1-one
Also Known As: 5-Bromophthalide, 5-bromoisobenzofuran-1(3H)-one, 5-Bromo-1(3H)-isobenzofuranone, 5-bromphthalide, 5-bromo-3H-2-benzofuran-1-one
| Molecular Formula | C8H5BrO2 |
|---|---|
| Molecular Weight | 211.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.9473 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 64169-35-3 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)Br)C(=O)O1 |
| InChIKey | IUSPXLCLQIZFHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromophthalide (CAS 64169-35-3), with molecular formula C8H5BrO2 and molecular weight 211.95 g/mol. IUPAC: 5-bromo-3H-2-benzofuran-1-one.
Chemical Property Profile of 5-Bromophthalide
Property Insights of 5-Bromophthalide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromophthalide. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Bromophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromophthalide has 0 hydrogen bond donor(s) and 2 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 5-Bromophthalide?
The CAS number of 5-Bromophthalide is 64169-35-3.
What is the molecular formula of 5-Bromophthalide?
The molecular formula of 5-Bromophthalide is C8H5BrO2.
What is the molecular weight of 5-Bromophthalide?
The molecular weight of 5-Bromophthalide is 211.95 g/mol.
Where can I buy 5-Bromophthalide?
You can request a quote for 5-Bromophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromophthalide?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.