UPCMLD0ENAT5967865:001
TL;DR: UPCMLD0ENAT5967865:001 (CAS 381706-18-9) is a chemical compound with molecular formula C21H15N3O7S2 and molecular weight 485.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: UPCMLD0ENAT5967865:001, methyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy(thiophen-2-yl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(2-thienylcarbonyl)(3-pyrrolinyl )]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H15N3O7S2 |
|---|---|
| Molecular Weight | 485.04 g/mol |
| LogP | 3.99072 |
| Topological Polar Surface Area | 139.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.03516 |
| Heavy Atoms | 33 |
| Complexity | 1327.3384 |
Chemical Identifiers
| CAS Number | 381706-18-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
UPCMLD0ENAT5967865:001 (CAS 381706-18-9), with molecular formula C21H15N3O7S2 and molecular weight 485.04 g/mol. IUPAC: methyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5967865:001
Property Insights of UPCMLD0ENAT5967865:001
The XLogP value of 3.99072 indicates that UPCMLD0ENAT5967865:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967865:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967865:001 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 UPCMLD0ENAT5967865:001?
The CAS number of UPCMLD0ENAT5967865:001 is 381706-18-9.
What is the molecular formula of UPCMLD0ENAT5967865:001?
The molecular formula of UPCMLD0ENAT5967865:001 is C21H15N3O7S2.
What is the molecular weight of UPCMLD0ENAT5967865:001?
The molecular weight of UPCMLD0ENAT5967865:001 is 485.04 g/mol.
Where can I buy UPCMLD0ENAT5967865:001?
You can request a quote for UPCMLD0ENAT5967865:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967865:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967865:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.