UPCMLD0ENAT5967837:001
TL;DR: UPCMLD0ENAT5967837:001 (CAS 380595-41-5) is a chemical compound with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-cyclohexyl-5-[[2-(3-methoxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: UPCMLD0ENAT5967837:001, AB00117891-01, (5Z)-3-cyclohexyl-5-[[2-(3-methoxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-cyclohexyl-5-((2-((3-methoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-methoxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 3.6768 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 1076.1007 |
Chemical Identifiers
| CAS Number | 380595-41-5 |
|---|---|
| SMILES | COCCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4 |
Product Overview
UPCMLD0ENAT5967837:001 (CAS 380595-41-5), with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol. IUPAC: (5Z)-3-cyclohexyl-5-[[2-(3-methoxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5967837:001
Property Insights of UPCMLD0ENAT5967837:001
The XLogP value of 3.6768 indicates that UPCMLD0ENAT5967837:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967837:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967837:001 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 UPCMLD0ENAT5967837:001?
The CAS number of UPCMLD0ENAT5967837:001 is 380595-41-5.
What is the molecular formula of UPCMLD0ENAT5967837:001?
The molecular formula of UPCMLD0ENAT5967837:001 is C22H26N4O3S2.
What is the molecular weight of UPCMLD0ENAT5967837:001?
The molecular weight of UPCMLD0ENAT5967837:001 is 458.14 g/mol.
Where can I buy UPCMLD0ENAT5967837:001?
You can request a quote for UPCMLD0ENAT5967837:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967837:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967837:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.