RefChem:1097810
TL;DR: RefChem:1097810 (CAS 27114-40-5) is a chemical compound with molecular formula C18H24Br2N2O2 and molecular weight 458.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)ethyl]benzene-1,2-diol;dihydrobromide
Also Known As: C(NCCc1ccc(O)c(O)c1)C2CCc3ccccc3N2, 2-(3,4-Dihydroxyphenethyl)aminomethyl-1,2,3,4-tetrahydroquinoline dihydrobromide, Quinoline, 1,2,3,4-tetrahydro-2-((3,4-dihydroxyphenethylamino)methyl)-, dihydrobromide, Quinoline, 2-((3,4-dihydroxyphenethylamino)methyl)-1,2,3,4-tetrahydro-, dihydrobromide, 4-[2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)ethyl]benze
| Molecular Formula | C18H24Br2N2O2 |
|---|---|
| Molecular Weight | 458.02 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.0184 |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 27114-40-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC1CNCCC3=CC(=C(C=C3)O)O.Br.Br |
| InChIKey | MMLWJCIXKYNCNI-UHFFFAOYSA-N |
Product Overview
RefChem:1097810 (CAS 27114-40-5), with molecular formula C18H24Br2N2O2 and molecular weight 458.02 g/mol. IUPAC: 4-[2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)ethyl]benzene-1,2-diol;dihydrobromide.
Chemical Property Profile of RefChem:1097810
Property Insights of RefChem:1097810
The XLogP value of 3.81 indicates that RefChem:1097810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097810. Following Lipinski's Rule of Five, RefChem:1097810 has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097810?
The CAS number of RefChem:1097810 is 27114-40-5.
What is the molecular formula of RefChem:1097810?
The molecular formula of RefChem:1097810 is C18H24Br2N2O2.
What is the molecular weight of RefChem:1097810?
The molecular weight of RefChem:1097810 is 458.02 g/mol.
Where can I buy RefChem:1097810?
You can request a quote for RefChem:1097810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097810?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.