UPCMLD0ENAT5989557:001
TL;DR: UPCMLD0ENAT5989557:001 (CAS 380580-97-2) is a chemical compound with molecular formula C24H28N4O2S2 and molecular weight 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-cyclohexyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: UPCMLD0ENAT5989557:001, (5Z)-3-cyclohexyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-cyclohexyl-5-((7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-CYCLOHEXYL-5-{[7-METHYL-4-OXO-2-(PIPERIDIN-1-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 3-[(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C24H28N4O2S2 |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 4.52712 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.16537 |
| Heavy Atoms | 32 |
| Complexity | 1160.5338 |
Chemical Identifiers
| CAS Number | 380580-97-2 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)N5CCCCC5)C=C1 |
Product Overview
UPCMLD0ENAT5989557:001 (CAS 380580-97-2), with molecular formula C24H28N4O2S2 and molecular weight 468.17 g/mol. IUPAC: (5Z)-3-cyclohexyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5989557:001
Property Insights of UPCMLD0ENAT5989557:001
The XLogP value of 4.52712 indicates that UPCMLD0ENAT5989557:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.92 Ų, UPCMLD0ENAT5989557:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5989557:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5989557:001?
The CAS number of UPCMLD0ENAT5989557:001 is 380580-97-2.
What is the molecular formula of UPCMLD0ENAT5989557:001?
The molecular formula of UPCMLD0ENAT5989557:001 is C24H28N4O2S2.
What is the molecular weight of UPCMLD0ENAT5989557:001?
The molecular weight of UPCMLD0ENAT5989557:001 is 468.17 g/mol.
Where can I buy UPCMLD0ENAT5989557:001?
You can request a quote for UPCMLD0ENAT5989557:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5989557:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5989557:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.