UPCMLD0ENAT5980930:001
TL;DR: UPCMLD0ENAT5980930:001 (CAS 378756-84-4) is a chemical compound with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: UPCMLD0ENAT5980930:001, 1-(3-(Dimethylamino)propyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(3-(dimethylamino)propyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one, 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(3-nitrophenyl)-4-(2-thienylcarbonyl)- 3-pyrrolin-2-one
| Molecular Formula | C20H21N3O5S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 3.1863 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.12018 |
| Heavy Atoms | 29 |
| Complexity | 968.2561 |
Chemical Identifiers
| CAS Number | 378756-84-4 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
UPCMLD0ENAT5980930:001 (CAS 378756-84-4), with molecular formula C20H21N3O5S and molecular weight 415.12 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of UPCMLD0ENAT5980930:001
Property Insights of UPCMLD0ENAT5980930:001
The XLogP value of 3.1863 indicates that UPCMLD0ENAT5980930:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5980930:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5980930:001 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 UPCMLD0ENAT5980930:001?
The CAS number of UPCMLD0ENAT5980930:001 is 378756-84-4.
What is the molecular formula of UPCMLD0ENAT5980930:001?
The molecular formula of UPCMLD0ENAT5980930:001 is C20H21N3O5S.
What is the molecular weight of UPCMLD0ENAT5980930:001?
The molecular weight of UPCMLD0ENAT5980930:001 is 415.12 g/mol.
Where can I buy UPCMLD0ENAT5980930:001?
You can request a quote for UPCMLD0ENAT5980930:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5980930:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5980930:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.