AF-399/15034002
TL;DR: AF-399/15034002 (CAS 385403-49-6) is a chemical compound with molecular formula C21H19ClN4O4S3 and molecular weight 522.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
Also Known As: AF-399/15034002, (E)-4-((2-(2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate, [4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate, 4-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]carbohydrazonoyl}-2-methoxyphenyl acetate, 4-((E)-{[({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetyl]hydrazono}methyl)-2-methoxyphenyl acetate
| Molecular Formula | C21H19ClN4O4S3 |
|---|---|
| Molecular Weight | 522.03 g/mol |
| LogP | 4.6601 |
| Topological Polar Surface Area | 102.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.0257 |
| Heavy Atoms | 33 |
| Complexity | 1138.7933 |
Chemical Identifiers
| CAS Number | 385403-49-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)OC |
Product Overview
AF-399/15034002 (CAS 385403-49-6), with molecular formula C21H19ClN4O4S3 and molecular weight 522.03 g/mol. IUPAC: [4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of AF-399/15034002
Property Insights of AF-399/15034002
The XLogP value of 4.6601 indicates that AF-399/15034002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15034002. Following Lipinski's Rule of Five, AF-399/15034002 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15034002?
The CAS number of AF-399/15034002 is 385403-49-6.
What is the molecular formula of AF-399/15034002?
The molecular formula of AF-399/15034002 is C21H19ClN4O4S3.
What is the molecular weight of AF-399/15034002?
The molecular weight of AF-399/15034002 is 522.03 g/mol.
Where can I buy AF-399/15034002?
You can request a quote for AF-399/15034002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15034002?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15034002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.