Deoxypeganine
TL;DR: Deoxypeganine (CAS 495-59-0) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
Also Known As: Deoxypeganine, Desoxypeganine, 3-Deoxyvasicine, Deoxypeganin, 3-Deoxypeganine
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 495-59-0 |
|---|---|
| SMILES | C1CC2=NC3=CC=CC=C3CN2C1 |
| InChIKey | WUFQLZTXIWKION-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deoxypeganine (CAS 495-59-0), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
Chemical Property Profile of Deoxypeganine
Property Insights of Deoxypeganine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxypeganine. With a topological polar surface area (TPSA) of 15.6 Ų, Deoxypeganine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxypeganine has 0 hydrogen bond donor(s) and 1 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 Deoxypeganine?
The CAS number of Deoxypeganine is 495-59-0.
What is the molecular formula of Deoxypeganine?
The molecular formula of Deoxypeganine is C11H12N2.
What is the molecular weight of Deoxypeganine?
The molecular weight of Deoxypeganine is 172.10 g/mol.
Where can I buy Deoxypeganine?
You can request a quote for Deoxypeganine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxypeganine?
Yes, KEHONG BIO provides custom synthesis services for Deoxypeganine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.