CDS1_003551
TL;DR: CDS1_003551 (CAS 299957-50-9) is a chemical compound with molecular formula C21H20ClNO4S2 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: CDS1_003551, BIM-0010899.P001, (5E)-5-[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-({3-CHLORO-5-METHOXY-4-[2-(4-METHYLPHENOXY)ETHOXY]PHENYL}METHYLIDENE)-3-METHYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C21H20ClNO4S2 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 4.94582 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.05222 |
| Heavy Atoms | 29 |
| Complexity | 959.8986 |
Chemical Identifiers
| CAS Number | 299957-50-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)/C=C/3\C(=O)N(C(=S)S3)C)OC |
Product Overview
CDS1_003551 (CAS 299957-50-9), with molecular formula C21H20ClNO4S2 and molecular weight 449.05 g/mol. IUPAC: (5E)-5-[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of CDS1_003551
Property Insights of CDS1_003551
The XLogP value of 4.94582 indicates that CDS1_003551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, CDS1_003551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_003551 has 0 hydrogen bond donor(s) and 6 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 CDS1_003551?
The CAS number of CDS1_003551 is 299957-50-9.
What is the molecular formula of CDS1_003551?
The molecular formula of CDS1_003551 is C21H20ClNO4S2.
What is the molecular weight of CDS1_003551?
The molecular weight of CDS1_003551 is 449.05 g/mol.
Where can I buy CDS1_003551?
You can request a quote for CDS1_003551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003551?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.