UPCMLD0ENAT5967864:001
TL;DR: UPCMLD0ENAT5967864:001 (CAS 380592-40-5) is a chemical compound with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT5967864:001, AB00116105-01, 3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 3-hydroxy-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
| Molecular Formula | C21H15N3O5S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 3.8298 |
| Topological Polar Surface Area | 113.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.07324 |
| Heavy Atoms | 30 |
| Complexity | 1158.4045 |
Chemical Identifiers
| CAS Number | 380592-40-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C4=CC=CS4 |
Product Overview
UPCMLD0ENAT5967864:001 (CAS 380592-40-5), with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol. IUPAC: 4-hydroxy-2-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT5967864:001
Property Insights of UPCMLD0ENAT5967864:001
The XLogP value of 3.8298 indicates that UPCMLD0ENAT5967864:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.64 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967864:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967864:001 has 1 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 UPCMLD0ENAT5967864:001?
The CAS number of UPCMLD0ENAT5967864:001 is 380592-40-5.
What is the molecular formula of UPCMLD0ENAT5967864:001?
The molecular formula of UPCMLD0ENAT5967864:001 is C21H15N3O5S.
What is the molecular weight of UPCMLD0ENAT5967864:001?
The molecular weight of UPCMLD0ENAT5967864:001 is 421.07 g/mol.
Where can I buy UPCMLD0ENAT5967864:001?
You can request a quote for UPCMLD0ENAT5967864:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967864:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967864:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.