1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide
TL;DR: 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide (CAS 85118-25-8) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3H-2-benzofuran-5-carboxamide
Also Known As: 5-carbamoylphthalide, 5-Carbamylphthalid, 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide, Citalopram Impurity 13, Escitalopram Impurity L
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.4559 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 397.84634 |
Chemical Identifiers
| CAS Number | 85118-25-8 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C(=O)N)C(=O)O1 |
Product Overview
1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide (CAS 85118-25-8), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 1-oxo-3H-2-benzofuran-5-carboxamide.
Chemical Property Profile of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide
Property Insights of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide
The XLogP value of 0.4559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide. Following Lipinski's Rule of Five, 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide 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 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide?
The CAS number of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide is 85118-25-8.
What is the molecular formula of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide?
The molecular formula of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide is C9H7NO3.
What is the molecular weight of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide?
The molecular weight of 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide is 177.04 g/mol.
Where can I buy 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide?
You can request a quote for 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1-oxoisobenzofuran-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.