Brucine, mononitrate, dihydrate
TL;DR: Brucine, mononitrate, dihydrate (CAS 5786-98-1) is a chemical compound with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,6-dimethylanilino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(tetrazol-1-yl)benzamide
Also Known As: Brucine, mononitrate, dihydrate, A2596/0110427, Strychnidin-10-one, 2,3-dimethoxy-, mononitrate, dihydrate, N-[2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(1H-tetrazol-1-yl)benzamide, N-[2-(2,6-Dimethylanilino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(1H-tetrazol-1-yl)benzamide
| Molecular Formula | C25H24N6O4 |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 3.10314 |
| Topological Polar Surface Area | 131.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.1859 |
| Heavy Atoms | 35 |
| Complexity | 1332.897 |
Chemical Identifiers
| CAS Number | 5786-98-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=C(C=C2)O)OC)NC(=O)C3=CC=C(C=C3)N4C=NN=N4 |
Product Overview
Brucine, mononitrate, dihydrate (CAS 5786-98-1), with molecular formula C25H24N6O4 and molecular weight 472.19 g/mol. IUPAC: N-[2-(2,6-dimethylanilino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(tetrazol-1-yl)benzamide.
Chemical Property Profile of Brucine, mononitrate, dihydrate
Property Insights of Brucine, mononitrate, dihydrate
The XLogP value of 3.10314 indicates that Brucine, mononitrate, dihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Brucine, mononitrate, dihydrate. Following Lipinski's Rule of Five, Brucine, mononitrate, dihydrate has 3 hydrogen bond donor(s) and 7 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 Brucine, mononitrate, dihydrate?
The CAS number of Brucine, mononitrate, dihydrate is 5786-98-1.
What is the molecular formula of Brucine, mononitrate, dihydrate?
The molecular formula of Brucine, mononitrate, dihydrate is C25H24N6O4.
What is the molecular weight of Brucine, mononitrate, dihydrate?
The molecular weight of Brucine, mononitrate, dihydrate is 472.19 g/mol.
Where can I buy Brucine, mononitrate, dihydrate?
You can request a quote for Brucine, mononitrate, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucine, mononitrate, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Brucine, mononitrate, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.