AB00684505-01
TL;DR: AB00684505-01 (CAS 686771-45-9) is a chemical compound with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00684505-01, F0579-0131, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C22H19N3O4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 3.64862 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.0817 |
| Heavy Atoms | 31 |
| Complexity | 1224.661 |
Chemical Identifiers
| CAS Number | 686771-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00684505-01 (CAS 686771-45-9), with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684505-01
Property Insights of AB00684505-01
The XLogP value of 3.64862 indicates that AB00684505-01 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 AB00684505-01. Following Lipinski's Rule of Five, AB00684505-01 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 AB00684505-01?
The CAS number of AB00684505-01 is 686771-45-9.
What is the molecular formula of AB00684505-01?
The molecular formula of AB00684505-01 is C22H19N3O4S2.
What is the molecular weight of AB00684505-01?
The molecular weight of AB00684505-01 is 453.08 g/mol.
Where can I buy AB00684505-01?
You can request a quote for AB00684505-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684505-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684505-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.