Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate
TL;DR: Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate (CAS 477539-10-9) is a chemical compound with molecular formula C22H20N4O6S and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
Also Known As: F0816-0739, methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate, methyl 4-{2-[4-(morpholin-4-yl)-3-nitrobenzamido]-1,3-thiazol-4-yl}benzoate, methyl 4-[2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]benzoate, Methyl 4-[2-[(4-morpholin-4-yl-3-nitro-benzoyl)amino]-1,3-thiazol-4-yl]benzoate
| Molecular Formula | C22H20N4O6S |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 3.5938 |
| Topological Polar Surface Area | 123.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.11035 |
| Heavy Atoms | 33 |
| Complexity | 1187.8517 |
Chemical Identifiers
| CAS Number | 477539-10-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-] |
Product Overview
Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate (CAS 477539-10-9), with molecular formula C22H20N4O6S and molecular weight 468.11 g/mol. IUPAC: methyl 4-[2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]benzoate.
Chemical Property Profile of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate
Property Insights of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate
The XLogP value of 3.5938 indicates that Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate has 1 hydrogen bond donor(s) and 9 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 Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate?
The CAS number of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate is 477539-10-9.
What is the molecular formula of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate?
The molecular formula of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate is C22H20N4O6S.
What is the molecular weight of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate?
The molecular weight of Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate is 468.11 g/mol.
Where can I buy Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate?
You can request a quote for Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(4-morpholino-3-nitrobenzamido)thiazol-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.