UPCMLD0ENAT0511-8125:001
TL;DR: UPCMLD0ENAT0511-8125:001 (CAS 514191-84-5) is a chemical compound with molecular formula C25H20N2O4S2 and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT0511-8125:001, AF-399/41501593, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-5-(4-methylphenyl)-4-(thien-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C25H20N2O4S2 |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 5.84782 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.08646 |
| Heavy Atoms | 33 |
| Complexity | 1387.8181 |
Chemical Identifiers
| CAS Number | 514191-84-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C |
Product Overview
UPCMLD0ENAT0511-8125:001 (CAS 514191-84-5), with molecular formula C25H20N2O4S2 and molecular weight 476.09 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT0511-8125:001
Property Insights of UPCMLD0ENAT0511-8125:001
The XLogP value of 5.84782 indicates that UPCMLD0ENAT0511-8125:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0511-8125:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0511-8125:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0511-8125:001?
The CAS number of UPCMLD0ENAT0511-8125:001 is 514191-84-5.
What is the molecular formula of UPCMLD0ENAT0511-8125:001?
The molecular formula of UPCMLD0ENAT0511-8125:001 is C25H20N2O4S2.
What is the molecular weight of UPCMLD0ENAT0511-8125:001?
The molecular weight of UPCMLD0ENAT0511-8125:001 is 476.09 g/mol.
Where can I buy UPCMLD0ENAT0511-8125:001?
You can request a quote for UPCMLD0ENAT0511-8125:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0511-8125:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0511-8125:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.