ChemDiv3_003472
TL;DR: ChemDiv3_003472 (CAS 681224-76-0) is a chemical compound with molecular formula C18H22N4O4S3 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: ChemDiv3_003472, IDI1_021382, BRD-K80122018-001-01-8, ethyl 4-{2-[({[4-(thiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-(2-((2-oxo-2-((4-(thiophen-2-yl)thiazol-2-yl)amino)ethyl)thio)acetyl)piperazine-1-carboxylate
| Molecular Formula | C18H22N4O4S3 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 2.844 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.08032 |
| Heavy Atoms | 29 |
| Complexity | 832.0396 |
Chemical Identifiers
| CAS Number | 681224-76-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=CS3 |
Product Overview
ChemDiv3_003472 (CAS 681224-76-0), with molecular formula C18H22N4O4S3 and molecular weight 454.08 g/mol. IUPAC: ethyl 4-[2-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_003472
Property Insights of ChemDiv3_003472
The XLogP value of 2.844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003472. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003472. Following Lipinski's Rule of Five, ChemDiv3_003472 has 1 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 ChemDiv3_003472?
The CAS number of ChemDiv3_003472 is 681224-76-0.
What is the molecular formula of ChemDiv3_003472?
The molecular formula of ChemDiv3_003472 is C18H22N4O4S3.
What is the molecular weight of ChemDiv3_003472?
The molecular weight of ChemDiv3_003472 is 454.08 g/mol.
Where can I buy ChemDiv3_003472?
You can request a quote for ChemDiv3_003472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003472?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.