ChemDiv1_008752
TL;DR: ChemDiv1_008752 (CAS 428824-50-4) is a chemical compound with molecular formula C12H15N3O3S3 and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_008752, ethyl 2-(2-((4,5-dihydrothiazol-2-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)ACETAMIDO]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-{[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C12H15N3O3S3 |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 2.40272 |
| Topological Polar Surface Area | 80.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.02756 |
| Heavy Atoms | 21 |
| Complexity | 571.33905 |
Chemical Identifiers
| CAS Number | 428824-50-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NCCS2)C |
Product Overview
ChemDiv1_008752 (CAS 428824-50-4), with molecular formula C12H15N3O3S3 and molecular weight 345.03 g/mol. IUPAC: ethyl 2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_008752
Property Insights of ChemDiv1_008752
The XLogP value of 2.40272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008752. The TPSA of 80.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008752. Following Lipinski's Rule of Five, ChemDiv1_008752 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 ChemDiv1_008752?
The CAS number of ChemDiv1_008752 is 428824-50-4.
What is the molecular formula of ChemDiv1_008752?
The molecular formula of ChemDiv1_008752 is C12H15N3O3S3.
What is the molecular weight of ChemDiv1_008752?
The molecular weight of ChemDiv1_008752 is 345.03 g/mol.
Where can I buy ChemDiv1_008752?
You can request a quote for ChemDiv1_008752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008752?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.