6-Amino-3,4-benzocoumarin
TL;DR: 6-Amino-3,4-benzocoumarin (CAS 83527-99-5) is a chemical compound with molecular formula C13H9NO2 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminobenzo[c]chromen-6-one
Also Known As: 6-Amino-3,4-benzocoumarin, 2-aminobenzo[c]chromen-6-one, 2-amino-6H-benzo[c]chromen-6-one, 2-Methoxyphenylacetic acid, 2-Amino-6H-dibenzo[b,d]pyran-6-one
| Molecular Formula | C13H9NO2 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.06332 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 83527-99-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC(=C3)N)OC2=O |
| InChIKey | DGSQFJGGUZPEHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-3,4-benzocoumarin (CAS 83527-99-5), with molecular formula C13H9NO2 and molecular weight 211.06 g/mol. IUPAC: 2-aminobenzo[c]chromen-6-one.
Chemical Property Profile of 6-Amino-3,4-benzocoumarin
Property Insights of 6-Amino-3,4-benzocoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-3,4-benzocoumarin. With a topological polar surface area (TPSA) of 52.3 Ų, 6-Amino-3,4-benzocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-3,4-benzocoumarin 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 6-Amino-3,4-benzocoumarin?
The CAS number of 6-Amino-3,4-benzocoumarin is 83527-99-5.
What is the molecular formula of 6-Amino-3,4-benzocoumarin?
The molecular formula of 6-Amino-3,4-benzocoumarin is C13H9NO2.
What is the molecular weight of 6-Amino-3,4-benzocoumarin?
The molecular weight of 6-Amino-3,4-benzocoumarin is 211.06 g/mol.
Where can I buy 6-Amino-3,4-benzocoumarin?
You can request a quote for 6-Amino-3,4-benzocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-3,4-benzocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-3,4-benzocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.