ASN 09858919
TL;DR: ASN 09858919 (CAS 842973-08-4) is a chemical compound with molecular formula C21H19FN6O4S2 and molecular weight 502.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: ASN 09858919, N-[5-[[2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, N-[5-({2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-2-OXOETHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-3-NITROBENZAMIDE, N-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
| Molecular Formula | C21H19FN6O4S2 |
|---|---|
| Molecular Weight | 502.09 g/mol |
| LogP | 3.2786 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.08932 |
| Heavy Atoms | 34 |
| Complexity | 1197.9841 |
Chemical Identifiers
| CAS Number | 842973-08-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
ASN 09858919 (CAS 842973-08-4), with molecular formula C21H19FN6O4S2 and molecular weight 502.09 g/mol. IUPAC: N-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of ASN 09858919
Property Insights of ASN 09858919
The XLogP value of 3.2786 indicates that ASN 09858919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 09858919. Following Lipinski's Rule of Five, ASN 09858919 has 1 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 ASN 09858919?
The CAS number of ASN 09858919 is 842973-08-4.
What is the molecular formula of ASN 09858919?
The molecular formula of ASN 09858919 is C21H19FN6O4S2.
What is the molecular weight of ASN 09858919?
The molecular weight of ASN 09858919 is 502.09 g/mol.
Where can I buy ASN 09858919?
You can request a quote for ASN 09858919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 09858919?
Yes, KEHONG BIO provides custom synthesis services for ASN 09858919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.