ChemDiv3_004930
TL;DR: ChemDiv3_004930 (CAS 315236-98-7) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
Also Known As: ChemDiv3_004930, IDI1_022840, BRD-K80305936-001-01-8, 4-[4-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid, 4-(4-((Z)-2,4-dioxo-5-((E)-3-phenylallylidene)thiazolidin-3-yl)butanamido)benzoic acid
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 4.3962 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 1045.3964 |
Chemical Identifiers
| CAS Number | 315236-98-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
ChemDiv3_004930 (CAS 315236-98-7), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: 4-[4-[(5Z)-2,4-dioxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid.
Chemical Property Profile of ChemDiv3_004930
Property Insights of ChemDiv3_004930
The XLogP value of 4.3962 indicates that ChemDiv3_004930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004930. Following Lipinski's Rule of Five, ChemDiv3_004930 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_004930?
The CAS number of ChemDiv3_004930 is 315236-98-7.
What is the molecular formula of ChemDiv3_004930?
The molecular formula of ChemDiv3_004930 is C23H20N2O5S.
What is the molecular weight of ChemDiv3_004930?
The molecular weight of ChemDiv3_004930 is 436.11 g/mol.
Where can I buy ChemDiv3_004930?
You can request a quote for ChemDiv3_004930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004930?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.