ChemDiv3_004167
TL;DR: ChemDiv3_004167 (CAS 442653-74-9) is a chemical compound with molecular formula C20H27N3O4S2 and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv3_004167, IDI1_022077, BRD-A92875537-001-01-1, F1248-0027, (E)-ethyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H27N3O4S2 |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.472 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.1443 |
| Heavy Atoms | 29 |
| Complexity | 833.9378 |
Chemical Identifiers
| CAS Number | 442653-74-9 |
|---|---|
| SMILES | CCN=C1N(C(=O)C(S1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)CC |
Product Overview
ChemDiv3_004167 (CAS 442653-74-9), with molecular formula C20H27N3O4S2 and molecular weight 437.14 g/mol. IUPAC: ethyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv3_004167
Property Insights of ChemDiv3_004167
The XLogP value of 3.472 indicates that ChemDiv3_004167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004167. Following Lipinski's Rule of Five, ChemDiv3_004167 has 1 hydrogen bond donor(s) and 7 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_004167?
The CAS number of ChemDiv3_004167 is 442653-74-9.
What is the molecular formula of ChemDiv3_004167?
The molecular formula of ChemDiv3_004167 is C20H27N3O4S2.
What is the molecular weight of ChemDiv3_004167?
The molecular weight of ChemDiv3_004167 is 437.14 g/mol.
Where can I buy ChemDiv3_004167?
You can request a quote for ChemDiv3_004167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004167?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.