4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol
TL;DR: 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol (CAS 634154-25-9) is a chemical compound with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-nitroanilino)-1,1-dioxothiolan-3-ol
Also Known As: 4-(4-nitroanilino)-1,1-dioxothiolan-3-ol, 4-[(4-nitrophenyl)amino]-1,1-dioxo-thiolan-3-ol, 4-[(4-nitrophenyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
| Molecular Formula | C10H12N2O5S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 0.1646 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0467 |
| Heavy Atoms | 18 |
| Complexity | 554.1357 |
Chemical Identifiers
| CAS Number | 634154-25-9 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol (CAS 634154-25-9), with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol. IUPAC: 4-(4-nitroanilino)-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol
Property Insights of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol
The XLogP value of 0.1646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol. Following Lipinski's Rule of Five, 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol has 2 hydrogen bond donor(s) and 6 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-Nitroanilino)-1,1-dioxothiolan-3-ol?
The CAS number of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol is 634154-25-9.
What is the molecular formula of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol?
The molecular formula of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol is C10H12N2O5S.
What is the molecular weight of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol?
The molecular weight of 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol is 272.05 g/mol.
Where can I buy 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol?
You can request a quote for 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitroanilino)-1,1-dioxothiolan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.