(S)-Nifurtimox
TL;DR: (S)-Nifurtimox (CAS 39072-16-7) is a chemical compound with molecular formula C10H13N3O5S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-1-(5-nitrofuran-2-yl)methanimine
Also Known As: (S)-NIFURTIMOX, NIFURTIMOX, (S)-, 4-THIOMORPHOLINAMINE, 3-METHYL-N-((5-NITRO-2-FURANYL)METHYLENE)-, 1,1-DIOXIDE, (S)-
| Molecular Formula | C10H13N3O5S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 0.6406 |
| Topological Polar Surface Area | 106.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0576 |
| Heavy Atoms | 19 |
| Complexity | 606.4362 |
Chemical Identifiers
| CAS Number | 39072-16-7 |
|---|---|
| SMILES | C[C@H]1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
(S)-Nifurtimox (CAS 39072-16-7), with molecular formula C10H13N3O5S and molecular weight 287.06 g/mol. IUPAC: (E)-N-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-1-(5-nitrofuran-2-yl)methanimine.
Chemical Property Profile of (S)-Nifurtimox
Property Insights of (S)-Nifurtimox
The XLogP value of 0.6406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Nifurtimox. The TPSA of 106.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Nifurtimox. Following Lipinski's Rule of Five, (S)-Nifurtimox has 0 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 (S)-Nifurtimox?
The CAS number of (S)-Nifurtimox is 39072-16-7.
What is the molecular formula of (S)-Nifurtimox?
The molecular formula of (S)-Nifurtimox is C10H13N3O5S.
What is the molecular weight of (S)-Nifurtimox?
The molecular weight of (S)-Nifurtimox is 287.06 g/mol.
Where can I buy (S)-Nifurtimox?
You can request a quote for (S)-Nifurtimox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Nifurtimox?
Yes, KEHONG BIO provides custom synthesis services for (S)-Nifurtimox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.