ChemDiv1_014304
TL;DR: ChemDiv1_014304 (CAS 389072-49-5) is a chemical compound with molecular formula C21H19ClN4O5S2 and molecular weight 506.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[2-(4-chlorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ChemDiv1_014304, F0509-0937, ethyl 4-[2-({5-[2-(4-chlorophenoxy)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-[[2-[[5-[[2-(4-chlorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-({[(5-{[(4-chlorophenoxy)acetyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C21H19ClN4O5S2 |
|---|---|
| Molecular Weight | 506.05 g/mol |
| LogP | 4.1165 |
| Topological Polar Surface Area | 119.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.04855 |
| Heavy Atoms | 33 |
| Complexity | 1106.6027 |
Chemical Identifiers
| CAS Number | 389072-49-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv1_014304 (CAS 389072-49-5), with molecular formula C21H19ClN4O5S2 and molecular weight 506.05 g/mol. IUPAC: ethyl 4-[[2-[[5-[[2-(4-chlorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_014304
Property Insights of ChemDiv1_014304
The XLogP value of 4.1165 indicates that ChemDiv1_014304 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014304. Following Lipinski's Rule of Five, ChemDiv1_014304 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014304?
The CAS number of ChemDiv1_014304 is 389072-49-5.
What is the molecular formula of ChemDiv1_014304?
The molecular formula of ChemDiv1_014304 is C21H19ClN4O5S2.
What is the molecular weight of ChemDiv1_014304?
The molecular weight of ChemDiv1_014304 is 506.05 g/mol.
Where can I buy ChemDiv1_014304?
You can request a quote for ChemDiv1_014304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014304?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.