AB00684501-01
TL;DR: AB00684501-01 (CAS 686770-51-4) is a chemical compound with molecular formula C21H17N3O4S2 and molecular weight 439.07 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-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AB00684501-01, F0579-0031, N-(2H-1,3-benzodioxol-5-yl)-2-({4-oxo-3-phenyl-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-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H17N3O4S2 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 3.3402 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.06604 |
| Heavy Atoms | 30 |
| Complexity | 1180.8593 |
Chemical Identifiers
| CAS Number | 686770-51-4 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
AB00684501-01 (CAS 686770-51-4), with molecular formula C21H17N3O4S2 and molecular weight 439.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00684501-01
Property Insights of AB00684501-01
The XLogP value of 3.3402 indicates that AB00684501-01 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 AB00684501-01. Following Lipinski's Rule of Five, AB00684501-01 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 AB00684501-01?
The CAS number of AB00684501-01 is 686770-51-4.
What is the molecular formula of AB00684501-01?
The molecular formula of AB00684501-01 is C21H17N3O4S2.
What is the molecular weight of AB00684501-01?
The molecular weight of AB00684501-01 is 439.07 g/mol.
Where can I buy AB00684501-01?
You can request a quote for AB00684501-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684501-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684501-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.