2-Nitrostrychnidin-10-one
TL;DR: 2-Nitrostrychnidin-10-one (CAS 29854-52-2) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,13aS,15aS,15bR)-10-nitro-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Also Known As: 2-Nitro-strychnine, 2-Nitrostrychnidin-10-one, Strychnine, 2-nitro-, Strychnidin-10-one, 2-nitro-, 2-27-00-00745 (Beilstein Handbook Reference)
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 29854-52-2 |
|---|---|
| SMILES | C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C=CC(=C7)[N+](=O)[O-] |
| InChIKey | PUIXISQSCVEHKU-QMVMYWSFSA-N |
Product Overview
2-Nitrostrychnidin-10-one (CAS 29854-52-2), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: (4aR,5aS,13aS,15aS,15bR)-10-nitro-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.
Chemical Property Profile of 2-Nitrostrychnidin-10-one
Property Insights of 2-Nitrostrychnidin-10-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrostrychnidin-10-one. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrostrychnidin-10-one. Following Lipinski's Rule of Five, 2-Nitrostrychnidin-10-one has 0 hydrogen bond donor(s) and 5 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 2-Nitrostrychnidin-10-one?
The CAS number of 2-Nitrostrychnidin-10-one is 29854-52-2.
What is the molecular formula of 2-Nitrostrychnidin-10-one?
The molecular formula of 2-Nitrostrychnidin-10-one is C21H21N3O4.
What is the molecular weight of 2-Nitrostrychnidin-10-one?
The molecular weight of 2-Nitrostrychnidin-10-one is 379.15 g/mol.
Where can I buy 2-Nitrostrychnidin-10-one?
You can request a quote for 2-Nitrostrychnidin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrostrychnidin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrostrychnidin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.