isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate
TL;DR: isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate (CAS 85966-63-8) is a chemical compound with molecular formula C11H14N4O8S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid
Also Known As: Idnpap, 2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid, Isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate, Isethionyl 3-(N-2,4-dinitrophenyl)aminopropionimidate, propyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
| Molecular Formula | C11H14N4O8S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.05322 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 85966-63-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(=N)OCCS(=O)(=O)O |
| InChIKey | VDEZIBJYVHDTSE-UHFFFAOYSA-N |
Product Overview
isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate (CAS 85966-63-8), with molecular formula C11H14N4O8S and molecular weight 362.05 g/mol. IUPAC: 2-[3-(2,4-dinitroanilino)propanimidoyloxy]ethanesulfonic acid.
Chemical Property Profile of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate
Property Insights of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate. The TPSA of 200.0 Ų indicates high polarity, suggesting isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate has 3 hydrogen bond donor(s) and 10 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 isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate?
The CAS number of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate is 85966-63-8.
What is the molecular formula of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate?
The molecular formula of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate is C11H14N4O8S.
What is the molecular weight of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate?
The molecular weight of isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate is 362.05 g/mol.
Where can I buy isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate?
You can request a quote for isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate?
Yes, KEHONG BIO provides custom synthesis services for isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.