AB00673082-01
TL;DR: AB00673082-01 (CAS 681815-28-1) is a chemical compound with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00673082-01, AS-871/43347523, F1063-0605, (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.4092 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1021 |
| Heavy Atoms | 28 |
| Complexity | 833.4946 |
Chemical Identifiers
| CAS Number | 681815-28-1 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
AB00673082-01 (CAS 681815-28-1), with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-oxo-4-piperidin-1-ylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00673082-01
Property Insights of AB00673082-01
The XLogP value of 3.4092 indicates that AB00673082-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, AB00673082-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00673082-01 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 AB00673082-01?
The CAS number of AB00673082-01 is 681815-28-1.
What is the molecular formula of AB00673082-01?
The molecular formula of AB00673082-01 is C20H22N2O4S2.
What is the molecular weight of AB00673082-01?
The molecular weight of AB00673082-01 is 418.10 g/mol.
Where can I buy AB00673082-01?
You can request a quote for AB00673082-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673082-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673082-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.