CDS1_003577
TL;DR: CDS1_003577 (CAS 6213-31-6) is a chemical compound with molecular formula C21H17BrFNO3S2 and molecular weight 492.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: CDS1_003577, BIM-0010945.P001, (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-({3-BROMO-4-[(4-FLUOROPHENYL)METHOXY]-5-METHOXYPHENYL}METHYLIDENE)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C21H17BrFNO3S2 |
|---|---|
| Molecular Weight | 492.98 g/mol |
| LogP | 5.563 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.98172 |
| Heavy Atoms | 29 |
| Complexity | 992.1659 |
Chemical Identifiers
| CAS Number | 6213-31-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)Br)OCC3=CC=C(C=C3)F |
Product Overview
CDS1_003577 (CAS 6213-31-6), with molecular formula C21H17BrFNO3S2 and molecular weight 492.98 g/mol. IUPAC: (5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of CDS1_003577
Property Insights of CDS1_003577
The XLogP value of 5.563 indicates that CDS1_003577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, CDS1_003577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_003577 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_003577?
The CAS number of CDS1_003577 is 6213-31-6.
What is the molecular formula of CDS1_003577?
The molecular formula of CDS1_003577 is C21H17BrFNO3S2.
What is the molecular weight of CDS1_003577?
The molecular weight of CDS1_003577 is 492.98 g/mol.
Where can I buy CDS1_003577?
You can request a quote for CDS1_003577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003577?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.