AB00684454-01
TL;DR: AB00684454-01 (CAS 681223-64-3) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
Also Known As: AB00684454-01, F0558-0134, 2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-N-(4-(4-methoxyphenyl)thiazol-2-yl)acetamide, N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}acetamide, 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 4.4698 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1065.9385 |
Chemical Identifiers
| CAS Number | 681223-64-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43 |
Product Overview
AB00684454-01 (CAS 681223-64-3), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
Chemical Property Profile of AB00684454-01
Property Insights of AB00684454-01
The XLogP value of 4.4698 indicates that AB00684454-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684454-01. Following Lipinski's Rule of Five, AB00684454-01 has 1 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 AB00684454-01?
The CAS number of AB00684454-01 is 681223-64-3.
What is the molecular formula of AB00684454-01?
The molecular formula of AB00684454-01 is C23H23N3O3S2.
What is the molecular weight of AB00684454-01?
The molecular weight of AB00684454-01 is 453.12 g/mol.
Where can I buy AB00684454-01?
You can request a quote for AB00684454-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684454-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684454-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.