AB00115003-01
TL;DR: AB00115003-01 (CAS 431075-55-7) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: AB00115003-01, AN-698/40780348, 2-[(5Z)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-{(5Z)-2,4-dioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide, 2-{2,4-dioxo-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.68202 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1004.60297 |
Chemical Identifiers
| CAS Number | 431075-55-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC#C)/SC2=O |
Product Overview
AB00115003-01 (CAS 431075-55-7), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 2-[(5Z)-2,4-dioxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AB00115003-01
Property Insights of AB00115003-01
The XLogP value of 3.68202 indicates that AB00115003-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115003-01. Following Lipinski's Rule of Five, AB00115003-01 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 AB00115003-01?
The CAS number of AB00115003-01 is 431075-55-7.
What is the molecular formula of AB00115003-01?
The molecular formula of AB00115003-01 is C22H18N2O4S.
What is the molecular weight of AB00115003-01?
The molecular weight of AB00115003-01 is 406.10 g/mol.
Where can I buy AB00115003-01?
You can request a quote for AB00115003-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115003-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115003-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.