ChemDiv1_010513
TL;DR: ChemDiv1_010513 (CAS 1164530-49-7) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate
Also Known As: ChemDiv1_010513, BAS 04357921, AB00685752-01, ETHYL 2-{2-[(2E)-3-METHYL-2-(METHYLIMINO)-4-OXO-1,3-THIAZOLIDIN-5-YL]ACETAMIDO}BENZOATE, F1199-0106
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 1164530-49-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NC)S2)C |
| InChIKey | DWOQEDLNZSBFHQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_010513 (CAS 1164530-49-7), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: ethyl 2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_010513
Property Insights of ChemDiv1_010513
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010513. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010513. Following Lipinski's Rule of Five, ChemDiv1_010513 has 1 hydrogen bond donor(s) and 6 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_010513?
The CAS number of ChemDiv1_010513 is 1164530-49-7.
What is the molecular formula of ChemDiv1_010513?
The molecular formula of ChemDiv1_010513 is C16H19N3O4S.
What is the molecular weight of ChemDiv1_010513?
The molecular weight of ChemDiv1_010513 is 349.11 g/mol.
Where can I buy ChemDiv1_010513?
You can request a quote for ChemDiv1_010513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010513?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.