UPCMLD0ENAT5967440:001
TL;DR: UPCMLD0ENAT5967440:001 (CAS 384349-44-4) is a chemical compound with molecular formula C22H17N3O8S and molecular weight 483.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: UPCMLD0ENAT5967440:001, methyl 2-(3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-5-(4-nitrophenyl)-2-oxo(3- pyrrolinyl)}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H17N3O8S |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 3.83064 |
| Topological Polar Surface Area | 153.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.07364 |
| Heavy Atoms | 34 |
| Complexity | 1368.9417 |
Chemical Identifiers
| CAS Number | 384349-44-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)[N+](=O)[O-])C4=NC(=C(S4)C(=O)OC)C)O |
Product Overview
UPCMLD0ENAT5967440:001 (CAS 384349-44-4), with molecular formula C22H17N3O8S and molecular weight 483.07 g/mol. IUPAC: methyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5967440:001
Property Insights of UPCMLD0ENAT5967440:001
The XLogP value of 3.83064 indicates that UPCMLD0ENAT5967440:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.08 Ų indicates high polarity, suggesting UPCMLD0ENAT5967440:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5967440:001 has 1 hydrogen bond donor(s) and 10 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 UPCMLD0ENAT5967440:001?
The CAS number of UPCMLD0ENAT5967440:001 is 384349-44-4.
What is the molecular formula of UPCMLD0ENAT5967440:001?
The molecular formula of UPCMLD0ENAT5967440:001 is C22H17N3O8S.
What is the molecular weight of UPCMLD0ENAT5967440:001?
The molecular weight of UPCMLD0ENAT5967440:001 is 483.07 g/mol.
Where can I buy UPCMLD0ENAT5967440:001?
You can request a quote for UPCMLD0ENAT5967440:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967440:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967440:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.