N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
TL;DR: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine (CAS 313685-05-1) is a chemical compound with molecular formula C11H8N4O3S and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
Also Known As: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine, N-(2-Furanylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine, N-(furan-2-ylmethyl)-4-nitrobenzo[c][1,2,5]thiadiazol-5-amine, N-[(Furan-2-yl)methyl]-4-nitro-2,1,3-benzothiadiazol-5-amine
| Molecular Formula | C11H8N4O3S |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 2.8046 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.0317 |
| Heavy Atoms | 19 |
| Complexity | 722.7076 |
Chemical Identifiers
| CAS Number | 313685-05-1 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-] |
Product Overview
N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine (CAS 313685-05-1), with molecular formula C11H8N4O3S and molecular weight 276.03 g/mol. IUPAC: N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine.
Chemical Property Profile of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
Property Insights of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
The XLogP value of 2.8046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine has 1 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 N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine?
The CAS number of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine is 313685-05-1.
What is the molecular formula of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine?
The molecular formula of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine is C11H8N4O3S.
What is the molecular weight of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine?
The molecular weight of N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine is 276.03 g/mol.
Where can I buy N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine?
You can request a quote for N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-4-nitro-2,1,3-benzothiadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.