1,3-二氢-1-氧代异苯并呋喃-5-甲酸
TL;DR: 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 (CAS 4792-29-4) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二氢-1-氧代异苯并呋喃-5-甲酸
1-oxo-3H-2-benzofuran-5-carboxylic acid
Also Known As: 5-Carboxyphthalide, 5-carbophthalide, 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid, 5-Carboxyphthalid, 5-Carboxyl-phthalide
| Molecular Formula | C9H6O4 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02661 |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 4792-29-4 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C(=O)O)C(=O)O1 |
| InChIKey | QTWUWCFGWYYRRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二氢-1-氧代异苯并呋喃-5-甲酸 (CAS 4792-29-4), with molecular formula C9H6O4 and molecular weight 178.03 g/mol. IUPAC: 1-oxo-3H-2-benzofuran-5-carboxylic acid.
Chemical Property Profile of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸
Property Insights of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-二氢-1-氧代异苯并呋喃-5-甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二氢-1-氧代异苯并呋喃-5-甲酸. Following Lipinski's Rule of Five, 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 has 1 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 1,3-二氢-1-氧代异苯并呋喃-5-甲酸?
The CAS number of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 is 4792-29-4.
What is the molecular formula of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸?
The molecular formula of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 is C9H6O4.
What is the molecular weight of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸?
The molecular weight of 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 is 178.03 g/mol.
Where can I buy 1,3-二氢-1-氧代异苯并呋喃-5-甲酸?
You can request a quote for 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二氢-1-氧代异苯并呋喃-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二氢-1-氧代异苯并呋喃-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.