2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid
TL;DR: 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid (CAS 733030-78-9) is a chemical compound with molecular formula C13H13N3O7S and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid
Also Known As: 2-{4-[(furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid, 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid, [((4-[(2-Furylmethyl)amino]-3-nitrophenyl)sulfonyl)amino]acetic acid, [({4-[(2-furylmethyl)amino]-3-nitrophenyl}sulfonyl)amino]acetic acid, 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetic Acid
| Molecular Formula | C13H13N3O7S |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 1.1628 |
| Topological Polar Surface Area | 151.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.04742 |
| Heavy Atoms | 24 |
| Complexity | 846.4552 |
Chemical Identifiers
| CAS Number | 733030-78-9 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-] |
Product Overview
2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid (CAS 733030-78-9), with molecular formula C13H13N3O7S and molecular weight 355.05 g/mol. IUPAC: 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid.
Chemical Property Profile of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid
Property Insights of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid
The XLogP value of 1.1628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid. The TPSA of 151.78 Ų indicates high polarity, suggesting 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid has 3 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 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid?
The CAS number of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid is 733030-78-9.
What is the molecular formula of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid?
The molecular formula of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid is C13H13N3O7S.
What is the molecular weight of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid?
The molecular weight of 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid is 355.05 g/mol.
Where can I buy 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid?
You can request a quote for 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(Furan-2-ylmethyl)amino]-3-nitrobenzenesulfonamido}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.