Propyl beta-carboline-3-carboxylate
TL;DR: Propyl beta-carboline-3-carboxylate (CAS 81039-89-6) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 9H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: beta-Ccp, propyl beta-carboline-3-carboxylate, Beta CCP, PRCC, beta-Carboline-3-carboxylic acid propyl ester
| Molecular Formula | C15H14N2O2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.10553 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 81039-89-6 |
|---|---|
| SMILES | CCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2 |
| InChIKey | WGRVAGIQTHEEQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl beta-carboline-3-carboxylate (CAS 81039-89-6), with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol. IUPAC: propyl 9H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Propyl beta-carboline-3-carboxylate
Property Insights of Propyl beta-carboline-3-carboxylate
The XLogP value of 3.4 indicates that Propyl beta-carboline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, Propyl beta-carboline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl beta-carboline-3-carboxylate has 1 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 Propyl beta-carboline-3-carboxylate?
The CAS number of Propyl beta-carboline-3-carboxylate is 81039-89-6.
What is the molecular formula of Propyl beta-carboline-3-carboxylate?
The molecular formula of Propyl beta-carboline-3-carboxylate is C15H14N2O2.
What is the molecular weight of Propyl beta-carboline-3-carboxylate?
The molecular weight of Propyl beta-carboline-3-carboxylate is 254.11 g/mol.
Where can I buy Propyl beta-carboline-3-carboxylate?
You can request a quote for Propyl beta-carboline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl beta-carboline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl beta-carboline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.