AB00685480-01
TL;DR: AB00685480-01 (CAS 681815-27-0) is a chemical compound with molecular formula C22H18N2O6S2 and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: AB00685480-01, F1063-0603, N-(2H-1,3-benzodioxol-5-yl)-4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, (Z)-N-(benzo[d][1,3]dioxol-5-yl)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(1,3-benzodioxol-5-yl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C22H18N2O6S2 |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 3.7641 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.06064 |
| Heavy Atoms | 32 |
| Complexity | 1149.2361 |
Chemical Identifiers
| CAS Number | 681815-27-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00685480-01 (CAS 681815-27-0), with molecular formula C22H18N2O6S2 and molecular weight 470.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of AB00685480-01
Property Insights of AB00685480-01
The XLogP value of 3.7641 indicates that AB00685480-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685480-01. Following Lipinski's Rule of Five, AB00685480-01 has 1 hydrogen bond donor(s) and 8 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 AB00685480-01?
The CAS number of AB00685480-01 is 681815-27-0.
What is the molecular formula of AB00685480-01?
The molecular formula of AB00685480-01 is C22H18N2O6S2.
What is the molecular weight of AB00685480-01?
The molecular weight of AB00685480-01 is 470.06 g/mol.
Where can I buy AB00685480-01?
You can request a quote for AB00685480-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685480-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685480-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.