o-Nitrobenzolsulfen-p-anisidid
TL;DR: o-Nitrobenzolsulfen-p-anisidid (CAS 4997-95-9) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(2-nitrophenyl)sulfanylaniline
Also Known As: o-Nitrobenzolsulfen-p-anisidid, 4-methoxy-N-(2-nitrophenyl)sulfanylaniline, 4-methoxy-N-[(2-nitrophenyl)sulfanyl]aniline, Benzenesulfenamide, N-(4-methoxyphenyl)-2-nitro-, (4-methoxyphenyl)(2-nitrophenylthio)amine
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4997-95-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | UZBCLGMTNMKXRS-UHFFFAOYSA-N |
Product Overview
o-Nitrobenzolsulfen-p-anisidid (CAS 4997-95-9), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 4-methoxy-N-(2-nitrophenyl)sulfanylaniline.
Chemical Property Profile of o-Nitrobenzolsulfen-p-anisidid
Property Insights of o-Nitrobenzolsulfen-p-anisidid
The XLogP value of 3.7 indicates that o-Nitrobenzolsulfen-p-anisidid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Nitrobenzolsulfen-p-anisidid. Following Lipinski's Rule of Five, o-Nitrobenzolsulfen-p-anisidid 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 o-Nitrobenzolsulfen-p-anisidid?
The CAS number of o-Nitrobenzolsulfen-p-anisidid is 4997-95-9.
What is the molecular formula of o-Nitrobenzolsulfen-p-anisidid?
The molecular formula of o-Nitrobenzolsulfen-p-anisidid is C13H12N2O3S.
What is the molecular weight of o-Nitrobenzolsulfen-p-anisidid?
The molecular weight of o-Nitrobenzolsulfen-p-anisidid is 276.06 g/mol.
Where can I buy o-Nitrobenzolsulfen-p-anisidid?
You can request a quote for o-Nitrobenzolsulfen-p-anisidid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Nitrobenzolsulfen-p-anisidid?
Yes, KEHONG BIO provides custom synthesis services for o-Nitrobenzolsulfen-p-anisidid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.