(3alpha,15alpha,20alpha)-Nitrarine
TL;DR: (3alpha,15alpha,20alpha)-Nitrarine (CAS 20069-05-0) 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,2S,15R,16S,21R)-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: (3alpha,15alpha,20alpha)-Nitrarine, CAS-20069-05-0, (1S,2S,15R,16S,21R)-4,14,20-triazahexacyclo[13.6.2.02,14.03,11.05,10.016,21]tricosa-3(11),5,7,9-tetraene
| Molecular Formula | C20H25N3 |
|---|---|
| Molecular Weight | 307.20 g/mol |
| LogP | 3.2275 |
| Topological Polar Surface Area | 31.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.20483 |
| Heavy Atoms | 23 |
| Complexity | 763.3326 |
Chemical Identifiers
| CAS Number | 20069-05-0 |
|---|---|
| SMILES | C1C[C@@H]2[C@H]3CC[C@@H]([C@@H]2NC1)[C@@H]4N3CCC5=C4NC6=CC=CC=C56 |
Product Overview
(3alpha,15alpha,20alpha)-Nitrarine (CAS 20069-05-0), with molecular formula C20H25N3 and molecular weight 307.20 g/mol. IUPAC: (1S,2S,15R,16S,21R)-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 (3alpha,15alpha,20alpha)-Nitrarine
Property Insights of (3alpha,15alpha,20alpha)-Nitrarine
The XLogP value of 3.2275 indicates that (3alpha,15alpha,20alpha)-Nitrarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.06 Ų, (3alpha,15alpha,20alpha)-Nitrarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,15alpha,20alpha)-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 (3alpha,15alpha,20alpha)-Nitrarine?
The CAS number of (3alpha,15alpha,20alpha)-Nitrarine is 20069-05-0.
What is the molecular formula of (3alpha,15alpha,20alpha)-Nitrarine?
The molecular formula of (3alpha,15alpha,20alpha)-Nitrarine is C20H25N3.
What is the molecular weight of (3alpha,15alpha,20alpha)-Nitrarine?
The molecular weight of (3alpha,15alpha,20alpha)-Nitrarine is 307.20 g/mol.
Where can I buy (3alpha,15alpha,20alpha)-Nitrarine?
You can request a quote for (3alpha,15alpha,20alpha)-Nitrarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,15alpha,20alpha)-Nitrarine?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,15alpha,20alpha)-Nitrarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.