Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside
TL;DR: Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside (CAS 7115-43-7) is a chemical compound with molecular formula C13H17N3O7S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitroanilino)-5-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-ol
Also Known As: Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside, ethyl 2-deoxy-2-[(2,4-dinitrophenyl)amino]-1-thiopentofuranoside, 4-(2,4-dinitroanilino)-5-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-ol
| Molecular Formula | C13H17N3O7S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.07874 |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 7115-43-7 |
|---|---|
| SMILES | CCSC1C(C(C(O1)CO)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ITLKWOMIUSUUOR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside (CAS 7115-43-7), with molecular formula C13H17N3O7S and molecular weight 359.08 g/mol. IUPAC: 4-(2,4-dinitroanilino)-5-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside
Property Insights of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside. The TPSA of 179.0 Ų indicates high polarity, suggesting Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside has 3 hydrogen bond donor(s) and 9 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 Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside?
The CAS number of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside is 7115-43-7.
What is the molecular formula of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside?
The molecular formula of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside is C13H17N3O7S.
What is the molecular weight of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside?
The molecular weight of Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside is 359.08 g/mol.
Where can I buy Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside?
You can request a quote for Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-deoxy-2-(2,4-dinitroanilino)-1-thiopentofuranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.