RefChem:349961
TL;DR: RefChem:349961 (CAS 70753-03-6) is a chemical compound with molecular formula C32H34N4O and molecular weight 490.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]-phenylmethanone
Also Known As: 5-23-09-00413 (Beilstein Handbook Reference), Isoquinoline, 1,2-dihydro-2-benzoyl-1-(1-(3-(4-methyl-l-piperazinyl)propyl)-3-indolyl)-, Piperazine, 1-methyl-4-(3-(3-(2'-benzoyl-1',2'-dihydroisoquinolin-1'-yl)-1-indoly)propyl)-, [1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]-phenylmethanone, [1-{1-[3-(4-Methylpiperazin-1-yl)propyl]-1H-indol-3-yl}isoquinolin-2(1H)-yl](phenyl)methanone
| Molecular Formula | C32H34N4O |
|---|---|
| Molecular Weight | 490.27 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 31.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.27325 |
| Heavy Atoms | 37 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 70753-03-6 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C=C(C3=CC=CC=C32)C4C5=CC=CC=C5C=CN4C(=O)C6=CC=CC=C6 |
| InChIKey | LKHLOJIELPEWFP-UHFFFAOYSA-N |
Product Overview
RefChem:349961 (CAS 70753-03-6), with molecular formula C32H34N4O and molecular weight 490.27 g/mol. IUPAC: [1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-1H-isoquinolin-2-yl]-phenylmethanone.
Chemical Property Profile of RefChem:349961
Property Insights of RefChem:349961
The XLogP value of 4.9 indicates that RefChem:349961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.7 Ų, RefChem:349961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349961 has 0 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 RefChem:349961?
The CAS number of RefChem:349961 is 70753-03-6.
What is the molecular formula of RefChem:349961?
The molecular formula of RefChem:349961 is C32H34N4O.
What is the molecular weight of RefChem:349961?
The molecular weight of RefChem:349961 is 490.27 g/mol.
Where can I buy RefChem:349961?
You can request a quote for RefChem:349961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349961?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.