1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride
TL;DR: 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride (CAS 37385-14-1) is a chemical compound with molecular formula C12H12ClN and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1H-benzo[de]isoquinoline;hydrochloride
Also Known As: 2,3-dihydro-1H-benzo[de]isoquinoline hydrochloride, 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride, 2,3-Dihydro-1H-benz(de)isoquinoline hydrochloride, A-Benzyl-propan-, A-dicarbonsaeure
| Molecular Formula | C12H12ClN |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.8648 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.06583 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 37385-14-1 |
|---|---|
| SMILES | C1C2=CC=CC3=C2C(=CC=C3)CN1.Cl |
| InChIKey | RHJYITSOKPRKHB-UHFFFAOYSA-N |
Product Overview
1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride (CAS 37385-14-1), with molecular formula C12H12ClN and molecular weight 205.07 g/mol. IUPAC: 2,3-dihydro-1H-benzo[de]isoquinoline;hydrochloride.
Chemical Property Profile of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride
Property Insights of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride
The XLogP value of 2.8648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride has 2 hydrogen bond donor(s) and 1 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 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride?
The CAS number of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride is 37385-14-1.
What is the molecular formula of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride?
The molecular formula of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride is C12H12ClN.
What is the molecular weight of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride?
The molecular weight of 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride is 205.07 g/mol.
Where can I buy 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride?
You can request a quote for 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz(de)isoquinoline, 2,3-dihydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.