3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid
TL;DR: 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid (CAS 70962-28-6) is a chemical compound with molecular formula C26H31N3O3 and molecular weight 433.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aR,5aS,13aS,15aS,15bR)-14-oxo-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-10-yl]-3-methylbutanamide
Also Known As: 2-Isovaleramidostrychnine, Strychnine, 2-isovaleramido-, 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid, RefChem:1068278, BRN 1058562
| Molecular Formula | C26H31N3O3 |
|---|---|
| Molecular Weight | 433.24 g/mol |
| LogP | 3.0771 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.23654 |
| Heavy Atoms | 32 |
| Complexity | 1064.3969 |
Chemical Identifiers
| CAS Number | 70962-28-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6 |
Product Overview
3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid (CAS 70962-28-6), with molecular formula C26H31N3O3 and molecular weight 433.24 g/mol. IUPAC: N-[(4aR,5aS,13aS,15aS,15bR)-14-oxo-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-10-yl]-3-methylbutanamide.
Chemical Property Profile of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid
Property Insights of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid
The XLogP value of 3.0771 indicates that 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid. Following Lipinski's Rule of Five, 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid has 1 hydrogen bond donor(s) and 4 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 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid?
The CAS number of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid is 70962-28-6.
What is the molecular formula of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid?
The molecular formula of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid is C26H31N3O3.
What is the molecular weight of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid?
The molecular weight of 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid is 433.24 g/mol.
Where can I buy 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid?
You can request a quote for 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-N-(10-oxostrychnidin-2-yl)butanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.