AB00686253-01
TL;DR: AB00686253-01 (CAS 866894-82-8) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB00686253-01, F1607-0489, 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-{[5-(3-ethoxypropyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 4.60852 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 1311.8375 |
Chemical Identifiers
| CAS Number | 866894-82-8 |
|---|---|
| SMILES | CCOCCCN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)NC4=CC=CC(=C4)C |
Product Overview
AB00686253-01 (CAS 866894-82-8), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: 2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00686253-01
Property Insights of AB00686253-01
The XLogP value of 4.60852 indicates that AB00686253-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686253-01. Following Lipinski's Rule of Five, AB00686253-01 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 AB00686253-01?
The CAS number of AB00686253-01 is 866894-82-8.
What is the molecular formula of AB00686253-01?
The molecular formula of AB00686253-01 is C24H25N3O4S.
What is the molecular weight of AB00686253-01?
The molecular weight of AB00686253-01 is 451.16 g/mol.
Where can I buy AB00686253-01?
You can request a quote for AB00686253-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686253-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686253-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.