4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)
TL;DR: 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) (CAS 302589-47-5) is a chemical compound with molecular formula C21H25N3O8 and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidin-2-yl]-2-methoxyphenol
Also Known As: BAS 01579763, 4,4'-(4,4-dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol), 4-[6-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dinitro(2-piperidyl)]-2-meth oxyphenol, 4-[6-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidin-2-yl]-2-methoxyphenol
| Molecular Formula | C21H25N3O8 |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 2.8174 |
| Topological Polar Surface Area | 157.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.16415 |
| Heavy Atoms | 32 |
| Complexity | 962.19995 |
Chemical Identifiers
| CAS Number | 302589-47-5 |
|---|---|
| SMILES | CC1(C(C(NC(C1[N+](=O)[O-])C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)[N+](=O)[O-])C |
Product Overview
4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) (CAS 302589-47-5), with molecular formula C21H25N3O8 and molecular weight 447.16 g/mol. IUPAC: 4-[6-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-3,5-dinitropiperidin-2-yl]-2-methoxyphenol.
Chemical Property Profile of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)
Property Insights of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)
The XLogP value of 2.8174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol). The TPSA of 157.23 Ų indicates high polarity, suggesting 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) has 3 hydrogen bond donor(s) and 9 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 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)?
The CAS number of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) is 302589-47-5.
What is the molecular formula of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)?
The molecular formula of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) is C21H25N3O8.
What is the molecular weight of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)?
The molecular weight of 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) is 447.16 g/mol.
Where can I buy 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)?
You can request a quote for 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(4,4-Dimethyl-3,5-dinitropiperidine-2,6-diyl)bis(2-methoxyphenol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.