RefChem:1058529
TL;DR: RefChem:1058529 (CAS 119718-03-5) is a chemical compound with molecular formula C29H30ClN5O and molecular weight 499.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chlorophenyl)piperazin-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_011114, 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-1-(3-pyridinyl)-, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propanoyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1h-, A-carboline, 2-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propanoyl)-1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline
| Molecular Formula | C29H30ClN5O |
|---|---|
| Molecular Weight | 499.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.2139 |
| Heavy Atoms | 36 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 119718-03-5 |
|---|---|
| SMILES | C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC(=CC=C6)Cl |
| InChIKey | WBNHOLRZSALXBA-UHFFFAOYSA-N |
Product Overview
RefChem:1058529 (CAS 119718-03-5), with molecular formula C29H30ClN5O and molecular weight 499.21 g/mol. IUPAC: 3-[4-(3-chlorophenyl)piperazin-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:1058529
Property Insights of RefChem:1058529
The XLogP value of 4.2 indicates that RefChem:1058529 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:1058529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058529 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:1058529?
The CAS number of RefChem:1058529 is 119718-03-5.
What is the molecular formula of RefChem:1058529?
The molecular formula of RefChem:1058529 is C29H30ClN5O.
What is the molecular weight of RefChem:1058529?
The molecular weight of RefChem:1058529 is 499.21 g/mol.
Where can I buy RefChem:1058529?
You can request a quote for RefChem:1058529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.