N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline
TL;DR: N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline (CAS 208518-52-9) is a chemical compound with molecular formula C15H23N3O4S and molecular weight 341.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-nitro-4-piperidin-1-ylsulfonylaniline
Also Known As: epothilone F, N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline, BAS 01110438, N-butyl-2-nitro-4-piperidin-1-ylsulfonylaniline, Butyl-[2-nitro-4-(piperidine-1-sulfonyl)-phenyl]-amine
| Molecular Formula | C15H23N3O4S |
|---|---|
| Molecular Weight | 341.14 g/mol |
| LogP | 2.9814 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.14093 |
| Heavy Atoms | 23 |
| Complexity | 654.68585 |
Chemical Identifiers
| CAS Number | 208518-52-9 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-] |
Product Overview
N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline (CAS 208518-52-9), with molecular formula C15H23N3O4S and molecular weight 341.14 g/mol. IUPAC: N-butyl-2-nitro-4-piperidin-1-ylsulfonylaniline.
Chemical Property Profile of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline
Property Insights of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline
The XLogP value of 2.9814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline. Following Lipinski's Rule of Five, N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline has 1 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 N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline?
The CAS number of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline is 208518-52-9.
What is the molecular formula of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline?
The molecular formula of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline is C15H23N3O4S.
What is the molecular weight of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline?
The molecular weight of N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline is 341.14 g/mol.
Where can I buy N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline?
You can request a quote for N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-nitro-4-(piperidin-1-ylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.