1(3H)-Isobenzofuranone, 3-bromo-
TL;DR: 1(3H)-Isobenzofuranone, 3-bromo- (CAS 6940-49-4) 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.
3-bromo-3H-2-benzofuran-1-one
Also Known As: 3-Bromophthalide, 3-bromoisobenzofuran-1(3H)-one, Phthalidyl bromide, 2-Bromophthalide, 3-bromo phthalide
| Molecular Formula | C8H5BrO2 |
|---|---|
| Molecular Weight | 211.95 g/mol |
| LogP | 1.9 |
| 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 | 6940-49-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)Br |
| InChIKey | CLMSHAWYULIVFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 3-bromo- (CAS 6940-49-4), with molecular formula C8H5BrO2 and molecular weight 211.95 g/mol. IUPAC: 3-bromo-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-bromo-
Property Insights of 1(3H)-Isobenzofuranone, 3-bromo-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-bromo-. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-bromo- 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 1(3H)-Isobenzofuranone, 3-bromo-?
The CAS number of 1(3H)-Isobenzofuranone, 3-bromo- is 6940-49-4.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-bromo-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-bromo- is C8H5BrO2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-bromo-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-bromo- is 211.95 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-bromo-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.