Nitrarine
TL;DR: Nitrarine (CAS 20069-03-8) is a chemical compound with molecular formula C20H25N3 and molecular weight 307.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,15R,16R,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-3(11),5,7,9-tetraene
Also Known As: Nitrarine, J2.927.634J, (1S,2R,15R,16R,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-3(11),5,7,9-tetraene, (1S,2R,15R,16R,21S)-4,14,20-triazahexacyclo(13.6.2.02,14.03,11.05,10.016,21)tricosa-3(11),5,7,9-tetraene, (4aR)-1,2,3,4,4aalpha,5,7,8,13,13balpha,14,14aalpha-Dodecahydro-5beta,14beta-ethanoindolo[2 ,3 :3,4]pyrido[1,2-g]-1,6-naphthyridine
| Molecular Formula | C20H25N3 |
|---|---|
| Molecular Weight | 307.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 31.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.20483 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 20069-03-8 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3CC[C@@H]([C@H]2NC1)[C@H]4N3CCC5=C4NC6=CC=CC=C56 |
| InChIKey | SBGPASZOVGSOFJ-CHBAHTGHSA-N |
Product Overview
Nitrarine (CAS 20069-03-8), with molecular formula C20H25N3 and molecular weight 307.20 g/mol. IUPAC: (1S,2R,15R,16R,21S)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-3(11),5,7,9-tetraene.
Chemical Property Profile of Nitrarine
Property Insights of Nitrarine
The XLogP value of 3.0 indicates that Nitrarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.1 Ų, Nitrarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrarine has 2 hydrogen bond donor(s) and 2 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 Nitrarine?
The CAS number of Nitrarine is 20069-03-8.
What is the molecular formula of Nitrarine?
The molecular formula of Nitrarine is C20H25N3.
What is the molecular weight of Nitrarine?
The molecular weight of Nitrarine is 307.20 g/mol.
Where can I buy Nitrarine?
You can request a quote for Nitrarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrarine?
Yes, KEHONG BIO provides custom synthesis services for Nitrarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.