UPCMLD0ENAT5967535:001
TL;DR: UPCMLD0ENAT5967535:001 (CAS 371220-47-2) is a chemical compound with molecular formula C21H14Cl2N2O3S and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT5967535:001, AB00117964-01, 2-(3,4-dichlorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, AF-399/40991439, 5-(3,4-dichlorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C21H14Cl2N2O3S |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | 5.2284 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.01022 |
| Heavy Atoms | 29 |
| Complexity | 1114.2196 |
Chemical Identifiers
| CAS Number | 371220-47-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
UPCMLD0ENAT5967535:001 (CAS 371220-47-2), with molecular formula C21H14Cl2N2O3S and molecular weight 444.01 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT5967535:001
Property Insights of UPCMLD0ENAT5967535:001
The XLogP value of 5.2284 indicates that UPCMLD0ENAT5967535:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967535:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967535:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5967535:001?
The CAS number of UPCMLD0ENAT5967535:001 is 371220-47-2.
What is the molecular formula of UPCMLD0ENAT5967535:001?
The molecular formula of UPCMLD0ENAT5967535:001 is C21H14Cl2N2O3S.
What is the molecular weight of UPCMLD0ENAT5967535:001?
The molecular weight of UPCMLD0ENAT5967535:001 is 444.01 g/mol.
Where can I buy UPCMLD0ENAT5967535:001?
You can request a quote for UPCMLD0ENAT5967535:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967535:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967535:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.