Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate
TL;DR: Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate (CAS 681844-50-8) is a chemical compound with molecular formula C21H19ClN2O6S and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-chloronaphthalen-1-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate
Also Known As: ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate, A2902/0122251, ethyl 3-[(4-chloronaphthalen-1-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate, ethyl 3-{[(4-chloronaphthyl)sulfonyl]amino}-3-(3-nitrophenyl)propanoate, ethyl 3-{[(4-chloronaphthalen-1-yl)sulfonyl]amino}-3-(3-nitrophenyl)propanoate
| Molecular Formula | C21H19ClN2O6S |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.3742 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.06525 |
| Heavy Atoms | 31 |
| Complexity | 1245.6035 |
Chemical Identifiers
| CAS Number | 681844-50-8 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)Cl |
Product Overview
Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate (CAS 681844-50-8), with molecular formula C21H19ClN2O6S and molecular weight 462.07 g/mol. IUPAC: ethyl 3-[(4-chloronaphthalen-1-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate.
Chemical Property Profile of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate
Property Insights of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate
The XLogP value of 4.3742 indicates that Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate 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 Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate 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 Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate?
The CAS number of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate is 681844-50-8.
What is the molecular formula of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate?
The molecular formula of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate is C21H19ClN2O6S.
What is the molecular weight of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate?
The molecular weight of Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate is 462.07 g/mol.
Where can I buy Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate?
You can request a quote for Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chloronaphthalene-1-sulfonamido)-3-(3-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.