ChemDiv3_004974
TL;DR: ChemDiv3_004974 (CAS 429636-36-2) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-ylidene]-N-(4-methylphenyl)acetamide
Also Known As: ChemDiv3_004974, AB00111052-01, (Z)-2-(2,4-dioxo-3-(piperidin-1-ylmethyl)thiazolidin-5-ylidene)-N-(p-tolyl)acetamide, (2Z)-2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-ylidene]-N-(4-methylphenyl)acetamide, (2Z)-2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-ylidene]-N-(4-methylphenyl)ethanamide
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.95622 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 708.78143 |
Chemical Identifiers
| CAS Number | 429636-36-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C=C\2/C(=O)N(C(=O)S2)CN3CCCCC3 |
Product Overview
ChemDiv3_004974 (CAS 429636-36-2), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: (2Z)-2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-ylidene]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv3_004974
Property Insights of ChemDiv3_004974
The XLogP value of 2.95622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004974. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004974. Following Lipinski's Rule of Five, ChemDiv3_004974 has 1 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_004974?
The CAS number of ChemDiv3_004974 is 429636-36-2.
What is the molecular formula of ChemDiv3_004974?
The molecular formula of ChemDiv3_004974 is C18H21N3O3S.
What is the molecular weight of ChemDiv3_004974?
The molecular weight of ChemDiv3_004974 is 359.13 g/mol.
Where can I buy ChemDiv3_004974?
You can request a quote for ChemDiv3_004974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004974?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.