F0509-3221
TL;DR: F0509-3221 (CAS 389073-14-7) is a chemical compound with molecular formula C20H16N6O6S3 and molecular weight 532.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
Also Known As: F0509-3221, N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide, N-(5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide, N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide, N-{5-[(N-1,3-benzothiazol-2-ylcarbamoyl)methylthio]-1,3,4-thiadiazol-2-yl}4,5-dimethoxy-2-nitrobenzamide
| Molecular Formula | C20H16N6O6S3 |
|---|---|
| Molecular Weight | 532.03 g/mol |
| LogP | 4.0563 |
| Topological Polar Surface Area | 158.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.02936 |
| Heavy Atoms | 35 |
| Complexity | 1388.6233 |
Chemical Identifiers
| CAS Number | 389073-14-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC |
Product Overview
F0509-3221 (CAS 389073-14-7), with molecular formula C20H16N6O6S3 and molecular weight 532.03 g/mol. IUPAC: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of F0509-3221
Property Insights of F0509-3221
The XLogP value of 4.0563 indicates that F0509-3221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.47 Ų indicates high polarity, suggesting F0509-3221 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0509-3221 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0509-3221?
The CAS number of F0509-3221 is 389073-14-7.
What is the molecular formula of F0509-3221?
The molecular formula of F0509-3221 is C20H16N6O6S3.
What is the molecular weight of F0509-3221?
The molecular weight of F0509-3221 is 532.03 g/mol.
Where can I buy F0509-3221?
You can request a quote for F0509-3221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0509-3221?
Yes, KEHONG BIO provides custom synthesis services for F0509-3221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.