6-Amino-1,3-dihydroxybenzocycloheptene
TL;DR: 6-Amino-1,3-dihydroxybenzocycloheptene (CAS 87615-44-9) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4aH-benzo[7]annulene-1,3-diol
Also Known As: 6-Adbch, 6-amino-4aH-benzo[7]annulene-1,3-diol, 6-Amino-1,3-dihydroxybenzocycloheptene, 6-Amino-4aH-benzo[7]annulene-1,3-diolato, RefChem:104159
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 87615-44-9 |
|---|---|
| SMILES | C1=CC(=CC2C=C(C=C(C2=C1)O)O)N |
| InChIKey | AGQYKUYYRZPUPI-UHFFFAOYSA-N |
Product Overview
6-Amino-1,3-dihydroxybenzocycloheptene (CAS 87615-44-9), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 6-amino-4aH-benzo[7]annulene-1,3-diol.
Chemical Property Profile of 6-Amino-1,3-dihydroxybenzocycloheptene
Property Insights of 6-Amino-1,3-dihydroxybenzocycloheptene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1,3-dihydroxybenzocycloheptene. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1,3-dihydroxybenzocycloheptene. Following Lipinski's Rule of Five, 6-Amino-1,3-dihydroxybenzocycloheptene has 3 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-1,3-dihydroxybenzocycloheptene?
The CAS number of 6-Amino-1,3-dihydroxybenzocycloheptene is 87615-44-9.
What is the molecular formula of 6-Amino-1,3-dihydroxybenzocycloheptene?
The molecular formula of 6-Amino-1,3-dihydroxybenzocycloheptene is C11H11NO2.
What is the molecular weight of 6-Amino-1,3-dihydroxybenzocycloheptene?
The molecular weight of 6-Amino-1,3-dihydroxybenzocycloheptene is 189.08 g/mol.
Where can I buy 6-Amino-1,3-dihydroxybenzocycloheptene?
You can request a quote for 6-Amino-1,3-dihydroxybenzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1,3-dihydroxybenzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1,3-dihydroxybenzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.