RefChem:401729
TL;DR: RefChem:401729 (CAS 617698-11-0) is a chemical compound with molecular formula C21H25BrN2O2S2 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-heptyl-2-thioxothiazolidin-4-one, (3Z)-5-bromo-3-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-propyl-1,3-dihydro-2H-indol-2-one, 5-bromo-3-(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-propyl-indol-2-one, (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one, 638-525-8
| Molecular Formula | C21H25BrN2O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 5.7475 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.05408 |
| Heavy Atoms | 28 |
| Complexity | 837.6945 |
Chemical Identifiers
| CAS Number | 617698-11-0 |
|---|---|
| SMILES | CCCCCCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CCC)/SC1=S |
Product Overview
RefChem:401729 (CAS 617698-11-0), with molecular formula C21H25BrN2O2S2 and molecular weight 480.05 g/mol. IUPAC: (5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:401729
Property Insights of RefChem:401729
The XLogP value of 5.7475 indicates that RefChem:401729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, RefChem:401729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:401729 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:401729?
The CAS number of RefChem:401729 is 617698-11-0.
What is the molecular formula of RefChem:401729?
The molecular formula of RefChem:401729 is C21H25BrN2O2S2.
What is the molecular weight of RefChem:401729?
The molecular weight of RefChem:401729 is 480.05 g/mol.
Where can I buy RefChem:401729?
You can request a quote for RefChem:401729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.