ChemDiv1_014216
TL;DR: ChemDiv1_014216 (CAS 389072-47-3) is a chemical compound with molecular formula C18H15BrN4O3S2 and molecular weight 477.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
Also Known As: ChemDiv1_014216, AQ-088/42013999, N-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide, F0509-0899, N-(4-bromophenyl)-2-((5-(2-phenoxyacetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide
| Molecular Formula | C18H15BrN4O3S2 |
|---|---|
| Molecular Weight | 477.98 g/mol |
| LogP | 4.0489 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.9769 |
| Heavy Atoms | 28 |
| Complexity | 935.5185 |
Chemical Identifiers
| CAS Number | 389072-47-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_014216 (CAS 389072-47-3), with molecular formula C18H15BrN4O3S2 and molecular weight 477.98 g/mol. IUPAC: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.
Chemical Property Profile of ChemDiv1_014216
Property Insights of ChemDiv1_014216
The XLogP value of 4.0489 indicates that ChemDiv1_014216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014216. Following Lipinski's Rule of Five, ChemDiv1_014216 has 2 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_014216?
The CAS number of ChemDiv1_014216 is 389072-47-3.
What is the molecular formula of ChemDiv1_014216?
The molecular formula of ChemDiv1_014216 is C18H15BrN4O3S2.
What is the molecular weight of ChemDiv1_014216?
The molecular weight of ChemDiv1_014216 is 477.98 g/mol.
Where can I buy ChemDiv1_014216?
You can request a quote for ChemDiv1_014216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014216?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.