ChemDiv1_010557
TL;DR: ChemDiv1_010557 (CAS 442564-73-0) is a chemical compound with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_010557, ethyl 4,5-dimethyl-2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate, F1199-0114, ethyl 4,5-dimethyl-2-{2-[(2E)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}thiophene-3-carboxylate, (E)-ethyl 4,5-dimethyl-2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)thiophene-3-carboxylate
| Molecular Formula | C16H21N3O4S2 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 2.42984 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.09735 |
| Heavy Atoms | 25 |
| Complexity | 741.98346 |
Chemical Identifiers
| CAS Number | 442564-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)N(C(=NC)S2)C |
Product Overview
ChemDiv1_010557 (CAS 442564-73-0), with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010557
Property Insights of ChemDiv1_010557
The XLogP value of 2.42984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010557. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010557. Following Lipinski's Rule of Five, ChemDiv1_010557 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 ChemDiv1_010557?
The CAS number of ChemDiv1_010557 is 442564-73-0.
What is the molecular formula of ChemDiv1_010557?
The molecular formula of ChemDiv1_010557 is C16H21N3O4S2.
What is the molecular weight of ChemDiv1_010557?
The molecular weight of ChemDiv1_010557 is 383.10 g/mol.
Where can I buy ChemDiv1_010557?
You can request a quote for ChemDiv1_010557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010557?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.