AB00668718-01
TL;DR: AB00668718-01 (CAS 686771-44-8) is a chemical compound with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00668718-01, F0579-0130, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C23H21N3O4S2 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 3.69112 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.09735 |
| Heavy Atoms | 32 |
| Complexity | 1241.2242 |
Chemical Identifiers
| CAS Number | 686771-44-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
AB00668718-01 (CAS 686771-44-8), with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668718-01
Property Insights of AB00668718-01
The XLogP value of 3.69112 indicates that AB00668718-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668718-01. Following Lipinski's Rule of Five, AB00668718-01 has 1 hydrogen bond donor(s) and 7 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 AB00668718-01?
The CAS number of AB00668718-01 is 686771-44-8.
What is the molecular formula of AB00668718-01?
The molecular formula of AB00668718-01 is C23H21N3O4S2.
What is the molecular weight of AB00668718-01?
The molecular weight of AB00668718-01 is 467.10 g/mol.
Where can I buy AB00668718-01?
You can request a quote for AB00668718-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668718-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668718-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.