异香豆素
TL;DR: 异香豆素 (CAS 491-31-6) is a chemical compound with molecular formula C9H6O2 and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异香豆素
isochromen-1-one
Also Known As: Isocoumarin, 1H-2-Benzopyran-1-one, isochromen-1-one, 1H-isochromen-1-one, iso-coumarin
| Molecular Formula | C9H6O2 |
|---|---|
| Molecular Weight | 146.04 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 | 146.03677 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 491-31-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=COC2=O |
| InChIKey | IQZZFVDIZRWADY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异香豆素 (CAS 491-31-6), with molecular formula C9H6O2 and molecular weight 146.04 g/mol. IUPAC: isochromen-1-one.
Chemical Property Profile of 异香豆素
Property Insights of 异香豆素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异香豆素. With a topological polar surface area (TPSA) of 26.3 Ų, 异香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异香豆素 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 异香豆素?
The CAS number of 异香豆素 is 491-31-6.
What is the molecular formula of 异香豆素?
The molecular formula of 异香豆素 is C9H6O2.
What is the molecular weight of 异香豆素?
The molecular weight of 异香豆素 is 146.04 g/mol.
Where can I buy 异香豆素?
You can request a quote for 异香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异香豆素?
Yes, KEHONG BIO provides custom synthesis services for 异香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.