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4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
TL;DR: 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one (CAS 76587-28-5) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
Also Known As: 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one, 1H,3H,4H,9H-pyrano[3,4-b]indol-1-one, 4,9-Dihydropyrano[3,4-b]indol-1(3H)-one, 3,4-dihydropyrano[3,4-b]indol-1(9H)-one, 3,4-Dihydropyrano[3,4-b]indole-1(9H)-one
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 76587-28-5 |
|---|---|
| SMILES | C1COC(=O)C2=C1C3=CC=CC=C3N2 |
| InChIKey | RMHNIAIULSGOBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,9-dihydro-3H-pyrano[3,4-b]indol-1-one (CAS 76587-28-5), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one.
Chemical Property Profile of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
Property Insights of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one. With a topological polar surface area (TPSA) of 42.1 Ų, 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one has 1 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 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one?
The CAS number of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one is 76587-28-5.
What is the molecular formula of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one?
The molecular formula of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one is C11H9NO2.
What is the molecular weight of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one?
The molecular weight of 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one is 187.06 g/mol.
Where can I buy 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one?
You can request a quote for 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.