![1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine structure](/static/products/849/849946-67-4.png)
1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine
TL;DR: 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine (CAS 849946-67-4) is a chemical compound with molecular formula C17H25N3O6S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-amino-4-(4-methylsulfonyl-2-nitrophenyl)piperidine-1-carboxylate
Also Known As: 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine, 1-BOC-4-[4-(Methylsulfonyl)-2-nitrophenyl]-piperidin-4-amine, 1-Boc-4-[4-(Methylsulfonyl)-2-nitrophenyl] piperidin-4-amine, 2,6-DI-TERT-BUTYL-4-METHOXYPHENOL, Y-9764
| Molecular Formula | C17H25N3O6S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 2.1832 |
| Topological Polar Surface Area | 132.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1464 |
| Heavy Atoms | 27 |
| Complexity | 851.91 |
Chemical Identifiers
| CAS Number | 849946-67-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N |
Product Overview
1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine (CAS 849946-67-4), with molecular formula C17H25N3O6S and molecular weight 399.15 g/mol. IUPAC: tert-butyl 4-amino-4-(4-methylsulfonyl-2-nitrophenyl)piperidine-1-carboxylate.
Chemical Property Profile of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine
Property Insights of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine
The XLogP value of 2.1832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine. The TPSA of 132.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine. Following Lipinski's Rule of Five, 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine has 1 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 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine?
The CAS number of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine is 849946-67-4.
What is the molecular formula of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine?
The molecular formula of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine is C17H25N3O6S.
What is the molecular weight of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine?
The molecular weight of 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine is 399.15 g/mol.
Where can I buy 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine?
You can request a quote for 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-4-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.