RefChem:1075093
TL;DR: RefChem:1075093 (CAS 119718-06-8) is a chemical compound with molecular formula C29H31N5O and molecular weight 465.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylpiperazin-1-yl)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
Also Known As: NCI60_011113, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(1-oxo-1-(4-phenyl-1-piperazinyl)propyl)-1-(3-pyridinyl)-, 2-(3-(4-phenyl-1-piperazinyl)propanoyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1h-, A-carboline, 2-(3-(4-Phenyl-1-piperazinyl)propanoyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline
| Molecular Formula | C29H31N5O |
|---|---|
| Molecular Weight | 465.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.25287 |
| Heavy Atoms | 35 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 119718-06-8 |
|---|---|
| SMILES | C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC=CC=C6 |
| InChIKey | YPDZCOXYCXOQOH-UHFFFAOYSA-N |
Product Overview
RefChem:1075093 (CAS 119718-06-8), with molecular formula C29H31N5O and molecular weight 465.25 g/mol. IUPAC: 3-(4-phenylpiperazin-1-yl)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one.
Chemical Property Profile of RefChem:1075093
Property Insights of RefChem:1075093
The XLogP value of 3.6 indicates that RefChem:1075093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, RefChem:1075093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075093 has 1 hydrogen bond donor(s) and 4 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:1075093?
The CAS number of RefChem:1075093 is 119718-06-8.
What is the molecular formula of RefChem:1075093?
The molecular formula of RefChem:1075093 is C29H31N5O.
What is the molecular weight of RefChem:1075093?
The molecular weight of RefChem:1075093 is 465.25 g/mol.
Where can I buy RefChem:1075093?
You can request a quote for RefChem:1075093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.