Nitrofurathiazide
TL;DR: Nitrofurathiazide (CAS 21086-49-7) is a chemical compound with molecular formula C13H12N4O6S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-6-yl]acetamide
Also Known As: Nitrofurathiazide, (+/-)-NITROFURATHIAZIDE, NITROFURATHIAZIDE, (+/-)-, N-[3,4-DIHYDRO-3-(5-NITROFURYL)-2H-1,2,4-BENZOTHIADIAZIN-6-YL]ACETAMIDE S,S-DIOXIDE, N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1
| Molecular Formula | C13H12N4O6S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.04776 |
| Heavy Atoms | 24 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 21086-49-7 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)S(=O)(=O)NC(N2)C3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | ASJMNOLNMPFKIA-UHFFFAOYSA-N |
Product Overview
Nitrofurathiazide (CAS 21086-49-7), with molecular formula C13H12N4O6S and molecular weight 352.05 g/mol. IUPAC: N-[3-(5-nitrofuran-2-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-6-yl]acetamide.
Chemical Property Profile of Nitrofurathiazide
Property Insights of Nitrofurathiazide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrofurathiazide. The TPSA of 155.0 Ų indicates high polarity, suggesting Nitrofurathiazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitrofurathiazide has 3 hydrogen bond donor(s) and 8 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 Nitrofurathiazide?
The CAS number of Nitrofurathiazide is 21086-49-7.
What is the molecular formula of Nitrofurathiazide?
The molecular formula of Nitrofurathiazide is C13H12N4O6S.
What is the molecular weight of Nitrofurathiazide?
The molecular weight of Nitrofurathiazide is 352.05 g/mol.
Where can I buy Nitrofurathiazide?
You can request a quote for Nitrofurathiazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrofurathiazide?
Yes, KEHONG BIO provides custom synthesis services for Nitrofurathiazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.