3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate
TL;DR: 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate (CAS 256508-36-8) is a chemical compound with molecular formula C15H11NO7S and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-1-benzofuran-5-yl) 4-methoxybenzenesulfonate
Also Known As: 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate, (3-nitro-1-benzofuran-5-yl) 4-methoxybenzenesulfonate, 3-Nitro-1-benzofuran-5-yl 4-methoxybenzene-1-sulfonate
| Molecular Formula | C15H11NO7S |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.1173 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.02563 |
| Heavy Atoms | 24 |
| Complexity | 1005.9835 |
Chemical Identifiers
| CAS Number | 256508-36-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC=C3[N+](=O)[O-] |
Product Overview
3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate (CAS 256508-36-8), with molecular formula C15H11NO7S and molecular weight 349.03 g/mol. IUPAC: (3-nitro-1-benzofuran-5-yl) 4-methoxybenzenesulfonate.
Chemical Property Profile of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate
Property Insights of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate
The XLogP value of 3.1173 indicates that 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate 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 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate?
The CAS number of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate is 256508-36-8.
What is the molecular formula of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate?
The molecular formula of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate is C15H11NO7S.
What is the molecular weight of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate?
The molecular weight of 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate is 349.03 g/mol.
Where can I buy 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate?
You can request a quote for 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-5-benzofuranyl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.