F0529-1082
TL;DR: F0529-1082 (CAS 477214-84-9) is a chemical compound with molecular formula C23H21N5O5S3 and molecular weight 543.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: F0529-1082, (2E)-N-[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (E)-N-(5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide, (E)-N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, N-{5-[(N-1,3-benzothiazol-2-ylcarbamoyl)methylthio]-1,3,4-thiadiazol-2-yl}-(E)-3-(3,4,5-trimethoxyphenyl)acrylamide
| Molecular Formula | C23H21N5O5S3 |
|---|---|
| Molecular Weight | 543.07 g/mol |
| LogP | 4.5563 |
| Topological Polar Surface Area | 124.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 543.0705 |
| Heavy Atoms | 36 |
| Complexity | 1360.1626 |
Chemical Identifiers
| CAS Number | 477214-84-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
F0529-1082 (CAS 477214-84-9), with molecular formula C23H21N5O5S3 and molecular weight 543.07 g/mol. IUPAC: (E)-N-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of F0529-1082
Property Insights of F0529-1082
The XLogP value of 4.5563 indicates that F0529-1082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.56 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-1082. Following Lipinski's Rule of Five, F0529-1082 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0529-1082?
The CAS number of F0529-1082 is 477214-84-9.
What is the molecular formula of F0529-1082?
The molecular formula of F0529-1082 is C23H21N5O5S3.
What is the molecular weight of F0529-1082?
The molecular weight of F0529-1082 is 543.07 g/mol.
Where can I buy F0529-1082?
You can request a quote for F0529-1082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-1082?
Yes, KEHONG BIO provides custom synthesis services for F0529-1082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.