RefChem:538940
TL;DR: RefChem:538940 (CAS 617697-35-5) is a chemical compound with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: AB00686034-01, (Z)-6-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, F1423-1297, 6-[(5Z)-5-[(2-{[(furan-2-yl)methyl]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-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C23H22N4O5S2 |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 3.7458 |
| Topological Polar Surface Area | 117.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.10315 |
| Heavy Atoms | 34 |
| Complexity | 1316.6417 |
Chemical Identifiers
| CAS Number | 617697-35-5 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)NCC4=CC=CO4 |
Product Overview
RefChem:538940 (CAS 617697-35-5), with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol. IUPAC: 6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of RefChem:538940
Property Insights of RefChem:538940
The XLogP value of 3.7458 indicates that RefChem:538940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:538940. Following Lipinski's Rule of Five, RefChem:538940 has 2 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 RefChem:538940?
The CAS number of RefChem:538940 is 617697-35-5.
What is the molecular formula of RefChem:538940?
The molecular formula of RefChem:538940 is C23H22N4O5S2.
What is the molecular weight of RefChem:538940?
The molecular weight of RefChem:538940 is 498.10 g/mol.
Where can I buy RefChem:538940?
You can request a quote for RefChem:538940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:538940?
Yes, KEHONG BIO provides custom synthesis services for RefChem:538940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.