AB00111517-01
TL;DR: AB00111517-01 (CAS 428859-99-8) is a chemical compound with molecular formula C20H18BrNO5S2 and molecular weight 494.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00111517-01, (5Z)-5-[[3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one, 5-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H18BrNO5S2 |
|---|---|
| Molecular Weight | 494.98 g/mol |
| LogP | 4.4129 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.981 |
| Heavy Atoms | 29 |
| Complexity | 946.6329 |
Chemical Identifiers
| CAS Number | 428859-99-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)/C=C\3/C(=O)NC(=S)S3)OC |
Product Overview
AB00111517-01 (CAS 428859-99-8), with molecular formula C20H18BrNO5S2 and molecular weight 494.98 g/mol. IUPAC: (5Z)-5-[[3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00111517-01
Property Insights of AB00111517-01
The XLogP value of 4.4129 indicates that AB00111517-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111517-01. Following Lipinski's Rule of Five, AB00111517-01 has 1 hydrogen bond donor(s) and 7 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 AB00111517-01?
The CAS number of AB00111517-01 is 428859-99-8.
What is the molecular formula of AB00111517-01?
The molecular formula of AB00111517-01 is C20H18BrNO5S2.
What is the molecular weight of AB00111517-01?
The molecular weight of AB00111517-01 is 494.98 g/mol.
Where can I buy AB00111517-01?
You can request a quote for AB00111517-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111517-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111517-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.