ChemDiv1_009913
TL;DR: ChemDiv1_009913 (CAS 438244-25-8) is a chemical compound with molecular formula C25H31N5O5S2 and molecular weight 545.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: ChemDiv1_009913, (Z)-6-(5-((9-methyl-2-((2-morpholinoethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[(5Z)-5-({9-methyl-2-[(2-morpholin-4-ylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5Z)-5-[(9-METHYL-2-{[2-(MORPHOLIN-4-YL)ETHYL]AMINO}-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]HEXANOIC ACID, 6-[(5Z)-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C25H31N5O5S2 |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 2.59322 |
| Topological Polar Surface Area | 116.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 545.17664 |
| Heavy Atoms | 37 |
| Complexity | 1272.0862 |
Chemical Identifiers
| CAS Number | 438244-25-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)NCCN4CCOCC4 |
Product Overview
ChemDiv1_009913 (CAS 438244-25-8), with molecular formula C25H31N5O5S2 and molecular weight 545.18 g/mol. IUPAC: 6-[(5Z)-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of ChemDiv1_009913
Property Insights of ChemDiv1_009913
The XLogP value of 2.59322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_009913. The TPSA of 116.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009913. Following Lipinski's Rule of Five, ChemDiv1_009913 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009913?
The CAS number of ChemDiv1_009913 is 438244-25-8.
What is the molecular formula of ChemDiv1_009913?
The molecular formula of ChemDiv1_009913 is C25H31N5O5S2.
What is the molecular weight of ChemDiv1_009913?
The molecular weight of ChemDiv1_009913 is 545.18 g/mol.
Where can I buy ChemDiv1_009913?
You can request a quote for ChemDiv1_009913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009913?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.