N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine
TL;DR: N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine (CAS 852702-51-3) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylsulfonyl-2-nitrophenyl)-1,3-benzodioxol-5-amine
Also Known As: MSNBA, N-(4-methanesulfonyl-2-nitrophenyl)-2H-1,3-benzodioxol-5-amine, N-(4-methylsulfonyl-2-nitrophenyl)-1,3-benzodioxol-5-amine, N-(4-METHANESULFONYL-2-NITROPHENYL)-1,3-DIOXAINDAN-5-AMINE, N-[4-(methylsulfonyl)-2-nitrophenyl]-1,3-benzodioxol-5-amine
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.4706 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 894.1357 |
Chemical Identifiers
| CAS Number | 852702-51-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-] |
Product Overview
N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine (CAS 852702-51-3), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: N-(4-methylsulfonyl-2-nitrophenyl)-1,3-benzodioxol-5-amine.
Chemical Property Profile of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine
Property Insights of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine
The XLogP value of 2.4706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine. Following Lipinski's Rule of Five, N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-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 N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine?
The CAS number of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine is 852702-51-3.
What is the molecular formula of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine?
The molecular formula of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine is C14H12N2O6S.
What is the molecular weight of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine?
The molecular weight of N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine is 336.04 g/mol.
Where can I buy N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine?
You can request a quote for N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methanesulfonyl-2-nitrophenyl)-1,3-dioxaindan-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.