AB00115859-01
TL;DR: AB00115859-01 (CAS 380577-95-7) is a chemical compound with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00115859-01, (5Z)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((3-(4-(allyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one, (5Z)-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H17N3O2S2 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 4.5929 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.07623 |
| Heavy Atoms | 29 |
| Complexity | 1102.8458 |
Chemical Identifiers
| CAS Number | 380577-95-7 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)NC(=S)S3)C4=CC=CC=C4 |
Product Overview
AB00115859-01 (CAS 380577-95-7), with molecular formula C22H17N3O2S2 and molecular weight 419.08 g/mol. IUPAC: (5Z)-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00115859-01
Property Insights of AB00115859-01
The XLogP value of 4.5929 indicates that AB00115859-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, AB00115859-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00115859-01 has 1 hydrogen bond donor(s) and 5 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 AB00115859-01?
The CAS number of AB00115859-01 is 380577-95-7.
What is the molecular formula of AB00115859-01?
The molecular formula of AB00115859-01 is C22H17N3O2S2.
What is the molecular weight of AB00115859-01?
The molecular weight of AB00115859-01 is 419.08 g/mol.
Where can I buy AB00115859-01?
You can request a quote for AB00115859-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115859-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115859-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.