AB00685791-01
TL;DR: AB00685791-01 (CAS 540763-08-4) is a chemical compound with molecular formula C22H17N3O4S3 and molecular weight 483.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00685791-01, F1277-0333, (Z)-2-(2-methoxy-4-((4-oxo-3-phenyl-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)-N-(thiazol-2-yl)acetamide, 2-(2-METHOXY-4-{[(5Z)-4-OXO-3-PHENYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)-N-(1,3-THIAZOL-2-YL)ACETAMIDE, 2-[2-methoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C22H17N3O4S3 |
|---|---|
| Molecular Weight | 483.04 g/mol |
| LogP | 4.575 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.03812 |
| Heavy Atoms | 32 |
| Complexity | 1180.3965 |
Chemical Identifiers
| CAS Number | 540763-08-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3)OCC(=O)NC4=NC=CS4 |
Product Overview
AB00685791-01 (CAS 540763-08-4), with molecular formula C22H17N3O4S3 and molecular weight 483.04 g/mol. IUPAC: 2-[2-methoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00685791-01
Property Insights of AB00685791-01
The XLogP value of 4.575 indicates that AB00685791-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685791-01. Following Lipinski's Rule of Five, AB00685791-01 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 AB00685791-01?
The CAS number of AB00685791-01 is 540763-08-4.
What is the molecular formula of AB00685791-01?
The molecular formula of AB00685791-01 is C22H17N3O4S3.
What is the molecular weight of AB00685791-01?
The molecular weight of AB00685791-01 is 483.04 g/mol.
Where can I buy AB00685791-01?
You can request a quote for AB00685791-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685791-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685791-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.