AP-853/43332213
TL;DR: AP-853/43332213 (CAS 835894-85-4) is a chemical compound with molecular formula C20H25N5O4S2 and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Also Known As: AP-853/43332213, N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide, N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide, N-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide, N-(5-{[2-(tert-butylamino)-2-oxoethyl]thio}-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
| Molecular Formula | C20H25N5O4S2 |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 2.5451 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1348 |
| Heavy Atoms | 31 |
| Complexity | 955.225 |
Chemical Identifiers
| CAS Number | 835894-85-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NN=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC |
Product Overview
AP-853/43332213 (CAS 835894-85-4), with molecular formula C20H25N5O4S2 and molecular weight 463.13 g/mol. IUPAC: N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of AP-853/43332213
Property Insights of AP-853/43332213
The XLogP value of 2.5451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-853/43332213. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/43332213. Following Lipinski's Rule of Five, AP-853/43332213 has 2 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 AP-853/43332213?
The CAS number of AP-853/43332213 is 835894-85-4.
What is the molecular formula of AP-853/43332213?
The molecular formula of AP-853/43332213 is C20H25N5O4S2.
What is the molecular weight of AP-853/43332213?
The molecular weight of AP-853/43332213 is 463.13 g/mol.
Where can I buy AP-853/43332213?
You can request a quote for AP-853/43332213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/43332213?
Yes, KEHONG BIO provides custom synthesis services for AP-853/43332213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.