ChemDiv2_004676
TL;DR: ChemDiv2_004676 (CAS 488129-20-0) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[methyl-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
Also Known As: ChemDiv2_004676, IDI1_003391, 2-{methyl[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxo-1-phenylethyl acetate, [2-[methyl-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate, {N-methyl-N-[5-(4-methylphenyl)(1,3,4-thiadiazol-2-yl)]carbamoyl}phenylmethyl acetate
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.78072 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 938.6205 |
Chemical Identifiers
| CAS Number | 488129-20-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(S2)N(C)C(=O)C(C3=CC=CC=C3)OC(=O)C |
Product Overview
ChemDiv2_004676 (CAS 488129-20-0), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: [2-[methyl-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate.
Chemical Property Profile of ChemDiv2_004676
Property Insights of ChemDiv2_004676
The XLogP value of 3.78072 indicates that ChemDiv2_004676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004676. Following Lipinski's Rule of Five, ChemDiv2_004676 has 0 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 ChemDiv2_004676?
The CAS number of ChemDiv2_004676 is 488129-20-0.
What is the molecular formula of ChemDiv2_004676?
The molecular formula of ChemDiv2_004676 is C20H19N3O3S.
What is the molecular weight of ChemDiv2_004676?
The molecular weight of ChemDiv2_004676 is 381.11 g/mol.
Where can I buy ChemDiv2_004676?
You can request a quote for ChemDiv2_004676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004676?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.