RefChem:1058522
TL;DR: RefChem:1058522 (CAS 111010-99-2) is a chemical compound with molecular formula C28H28ClN5O and molecular weight 485.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
Also Known As: NCI60_011104, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-((4-(3-chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridinyl)-, 2-((4-(3-chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1h-, A-carboline, 2-((4-(3-Chlorophenyl)-1-piperazinyl)acetyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline
| Molecular Formula | C28H28ClN5O |
|---|---|
| Molecular Weight | 485.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.19824 |
| Heavy Atoms | 35 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 111010-99-2 |
|---|---|
| SMILES | C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC(=CC=C6)Cl |
| InChIKey | SYPKBQIMDNYPFL-UHFFFAOYSA-N |
Product Overview
RefChem:1058522 (CAS 111010-99-2), with molecular formula C28H28ClN5O and molecular weight 485.20 g/mol. IUPAC: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone.
Chemical Property Profile of RefChem:1058522
Property Insights of RefChem:1058522
The XLogP value of 4.3 indicates that RefChem:1058522 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:1058522 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058522 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:1058522?
The CAS number of RefChem:1058522 is 111010-99-2.
What is the molecular formula of RefChem:1058522?
The molecular formula of RefChem:1058522 is C28H28ClN5O.
What is the molecular weight of RefChem:1058522?
The molecular weight of RefChem:1058522 is 485.20 g/mol.
Where can I buy RefChem:1058522?
You can request a quote for RefChem:1058522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.