1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene
TL;DR: 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene (CAS 90109-12-9) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4a,5,6,7,8,9-hexahydro-4H-benzo[7]annulene-1,2-diol
Also Known As: 1,2-Dhabc, oxo-4 butyne-2 nitrile, 6-amino-4a,5,6,7,8,9-hexahydro-4H-benzo[7]annulene-1,2-diol, 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene, 8-Amino-5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene-3,4-diol
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 90109-12-9 |
|---|---|
| SMILES | C1CC(CC2CC=C(C(=C2C1)O)O)N |
| InChIKey | SOHMUCQUZPSTJF-UHFFFAOYSA-N |
Product Overview
1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene (CAS 90109-12-9), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: 6-amino-4a,5,6,7,8,9-hexahydro-4H-benzo[7]annulene-1,2-diol.
Chemical Property Profile of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene
Property Insights of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene. Following Lipinski's Rule of Five, 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene 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 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene?
The CAS number of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene is 90109-12-9.
What is the molecular formula of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene?
The molecular formula of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene is C11H17NO2.
What is the molecular weight of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene?
The molecular weight of 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene is 195.13 g/mol.
Where can I buy 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene?
You can request a quote for 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydroxy-6,7,8,9-tetrahydro-6-aminobenzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.