RefChem:349920
TL;DR: RefChem:349920 (CAS 84218-38-2) is a chemical compound with molecular formula C27H28ClN3O2 and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]aniline
Also Known As: 2,5-diphenyl-1,4-distyrylbenzene, 2-((m-Chloroanilino)methyl)-6,7-dimethoxy-1-(3-indolylmethyl)-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-2-((m-chloroanilino)methyl)-6,7-dimethoxy-1-(3-indolylmethyl)-, 3-chloro-N-[[1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]aniline, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-((m-CHLOROANILINO)METHYL)-6,7-DIMETHOXY-1-(3-
| Molecular Formula | C27H28ClN3O2 |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.187 |
| Heavy Atoms | 33 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 84218-38-2 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)CNC3=CC(=CC=C3)Cl)CC4=CNC5=CC=CC=C54)OC |
| InChIKey | VJEMUTOQHQQABF-UHFFFAOYSA-N |
Product Overview
RefChem:349920 (CAS 84218-38-2), with molecular formula C27H28ClN3O2 and molecular weight 461.19 g/mol. IUPAC: 3-chloro-N-[[1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]aniline.
Chemical Property Profile of RefChem:349920
Property Insights of RefChem:349920
The XLogP value of 6.3 indicates that RefChem:349920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.5 Ų, RefChem:349920 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349920 has 2 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:349920?
The CAS number of RefChem:349920 is 84218-38-2.
What is the molecular formula of RefChem:349920?
The molecular formula of RefChem:349920 is C27H28ClN3O2.
What is the molecular weight of RefChem:349920?
The molecular weight of RefChem:349920 is 461.19 g/mol.
Where can I buy RefChem:349920?
You can request a quote for RefChem:349920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.