UPCMLD0ENAT5969471:001
TL;DR: UPCMLD0ENAT5969471:001 (CAS 374102-93-9) is a chemical compound with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-methoxypropyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: UPCMLD0ENAT5969471:001, BAS 02234690, 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-(3-methoxypropyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(3-methoxypropyl)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H24N4O4S2 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 2.5231 |
| Topological Polar Surface Area | 85.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.1239 |
| Heavy Atoms | 31 |
| Complexity | 1078.7245 |
Chemical Identifiers
| CAS Number | 374102-93-9 |
|---|---|
| SMILES | COCCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4CCCO4)/SC1=S |
Product Overview
UPCMLD0ENAT5969471:001 (CAS 374102-93-9), with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol. IUPAC: (5Z)-3-(3-methoxypropyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5969471:001
Property Insights of UPCMLD0ENAT5969471:001
The XLogP value of 2.5231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5969471:001. The TPSA of 85.17 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5969471:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5969471:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5969471:001?
The CAS number of UPCMLD0ENAT5969471:001 is 374102-93-9.
What is the molecular formula of UPCMLD0ENAT5969471:001?
The molecular formula of UPCMLD0ENAT5969471:001 is C21H24N4O4S2.
What is the molecular weight of UPCMLD0ENAT5969471:001?
The molecular weight of UPCMLD0ENAT5969471:001 is 460.12 g/mol.
Where can I buy UPCMLD0ENAT5969471:001?
You can request a quote for UPCMLD0ENAT5969471:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5969471:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5969471:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.