2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride
TL;DR: 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride (CAS 680618-07-9) is a chemical compound with molecular formula C16H15ClN2O6S and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride
Also Known As: 2-ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride, 2-Ethoxy-5-(3-methyl-4-nitrobenzamido)benzene-1-sulfonyl chloride, 1691AJ, 2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride, 2-ethoxy-5-(3-methyl-4-nitrobenzamido)-benzene-1-sulfonyl chloride
| Molecular Formula | C16H15ClN2O6S |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 3.48172 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.03394 |
| Heavy Atoms | 26 |
| Complexity | 974.70044 |
Chemical Identifiers
| CAS Number | 680618-07-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)S(=O)(=O)Cl |
Product Overview
2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride (CAS 680618-07-9), with molecular formula C16H15ClN2O6S and molecular weight 398.03 g/mol. IUPAC: 2-ethoxy-5-[(3-methyl-4-nitrobenzoyl)amino]benzenesulfonyl chloride.
Chemical Property Profile of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride
Property Insights of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride
The XLogP value of 3.48172 indicates that 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride. Following Lipinski's Rule of Five, 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride has 1 hydrogen bond donor(s) and 6 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-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride?
The CAS number of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride is 680618-07-9.
What is the molecular formula of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride?
The molecular formula of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride is C16H15ClN2O6S.
What is the molecular weight of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride?
The molecular weight of 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride is 398.03 g/mol.
Where can I buy 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride?
You can request a quote for 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-5-(3-methyl-4-nitro-benzoylamino)-benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.