4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate
TL;DR: 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate (CAS 415701-86-9) is a chemical compound with molecular formula C17H15ClN2O7S and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
Also Known As: BIM-0018443.P001, (4-nitrophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate, 4-nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate, 4-nitrophenyl 4-chloro-3-(morpholinosulfonyl)benzoate
| Molecular Formula | C17H15ClN2O7S |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 2.4883 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.02884 |
| Heavy Atoms | 28 |
| Complexity | 1002.666 |
Chemical Identifiers
| CAS Number | 415701-86-9 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate (CAS 415701-86-9), with molecular formula C17H15ClN2O7S and molecular weight 426.03 g/mol. IUPAC: (4-nitrophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate.
Chemical Property Profile of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate
Property Insights of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate
The XLogP value of 2.4883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate 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 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate?
The CAS number of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate is 415701-86-9.
What is the molecular formula of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate?
The molecular formula of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate is C17H15ClN2O7S.
What is the molecular weight of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate?
The molecular weight of 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate is 426.03 g/mol.
Where can I buy 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate?
You can request a quote for 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-chloro-3-(4-morpholinylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.