F0529-1091
TL;DR: F0529-1091 (CAS 477214-93-0) is a chemical compound with molecular formula C21H19N5O4S3 and molecular weight 501.06 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]-2-(3,4-dimethoxyphenyl)acetamide
Also Known As: F0529-1091, N-(1,3-benzothiazol-2-yl)-2-({5-[2-(3,4-dimethoxyphenyl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide, N-(benzo[d]thiazol-2-yl)-2-((5-(2-(3,4-dimethoxyphenyl)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetamide, N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
| Molecular Formula | C21H19N5O4S3 |
|---|---|
| Molecular Weight | 501.06 g/mol |
| LogP | 4.077 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.0599 |
| Heavy Atoms | 33 |
| Complexity | 1256.8948 |
Chemical Identifiers
| CAS Number | 477214-93-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)NC2=NN=C(S2)SCC(=O)NC3=NC4=CC=CC=C4S3)OC |
Product Overview
F0529-1091 (CAS 477214-93-0), with molecular formula C21H19N5O4S3 and molecular weight 501.06 g/mol. IUPAC: N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of F0529-1091
Property Insights of F0529-1091
The XLogP value of 4.077 indicates that F0529-1091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-1091. Following Lipinski's Rule of Five, F0529-1091 has 2 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 F0529-1091?
The CAS number of F0529-1091 is 477214-93-0.
What is the molecular formula of F0529-1091?
The molecular formula of F0529-1091 is C21H19N5O4S3.
What is the molecular weight of F0529-1091?
The molecular weight of F0529-1091 is 501.06 g/mol.
Where can I buy F0529-1091?
You can request a quote for F0529-1091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-1091?
Yes, KEHONG BIO provides custom synthesis services for F0529-1091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.