RefChem:404785
TL;DR: RefChem:404785 (CAS 623934-87-2) is a chemical compound with molecular formula C28H31N3O3S2 and molecular weight 521.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-methoxypropyl)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: SALOR-INT L431206-1EA, (5Z)-5-{[3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(3-methoxypropyl)-2-thioxothiazolidin-4-one, 5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(3-methoxypropyl)-2-thioxothiazolidin-4-one, (5Z)-3-(3-methoxypropyl)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C28H31N3O3S2 |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | 6.12022 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.18066 |
| Heavy Atoms | 36 |
| Complexity | 1268.2992 |
Chemical Identifiers
| CAS Number | 623934-87-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4)OCC(C)C |
Product Overview
RefChem:404785 (CAS 623934-87-2), with molecular formula C28H31N3O3S2 and molecular weight 521.18 g/mol. IUPAC: (5Z)-3-(3-methoxypropyl)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404785
Property Insights of RefChem:404785
The XLogP value of 6.12022 indicates that RefChem:404785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, RefChem:404785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404785 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404785?
The CAS number of RefChem:404785 is 623934-87-2.
What is the molecular formula of RefChem:404785?
The molecular formula of RefChem:404785 is C28H31N3O3S2.
What is the molecular weight of RefChem:404785?
The molecular weight of RefChem:404785 is 521.18 g/mol.
Where can I buy RefChem:404785?
You can request a quote for RefChem:404785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.