1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene
TL;DR: 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene (CAS 90109-16-3) is a chemical compound with molecular formula C14H23NO2 and molecular weight 237.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(propylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[7]annulene-1,2-diol
Also Known As: 1,2-Ddpatc, 1,2-Dpatc, oxo-4 butyne-2 nitrile, 1,2-Dihydroxy-6-(N-(2-methylethyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene, 1,2-Dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene
| Molecular Formula | C14H23NO2 |
|---|---|
| Molecular Weight | 237.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.17288 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 90109-16-3 |
|---|---|
| SMILES | CCCNC1CCCC2=C(C(=CCC2C1)O)O |
| InChIKey | MFXHRNULWXHMBG-UHFFFAOYSA-N |
Product Overview
1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene (CAS 90109-16-3), with molecular formula C14H23NO2 and molecular weight 237.17 g/mol. IUPAC: 6-(propylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[7]annulene-1,2-diol.
Chemical Property Profile of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene
Property Insights of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene. With a topological polar surface area (TPSA) of 52.5 Ų, 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene 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-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene?
The CAS number of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene is 90109-16-3.
What is the molecular formula of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene?
The molecular formula of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene is C14H23NO2.
What is the molecular weight of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene?
The molecular weight of 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene is 237.17 g/mol.
Where can I buy 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene?
You can request a quote for 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene 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-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-dihydroxy-6-((N-dipropyl)amino)-6,7,8,9-tetrahydrobenzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.