AB00668691-01
TL;DR: AB00668691-01 (CAS 686770-49-0) 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AB00668691-01, F0579-0030, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C22H19N3O4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 3.3827 |
| 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 | 1197.3507 |
Chemical Identifiers
| CAS Number | 686770-49-0 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
AB00668691-01 (CAS 686770-49-0), with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00668691-01
Property Insights of AB00668691-01
The XLogP value of 3.3827 indicates that AB00668691-01 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 AB00668691-01. Following Lipinski's Rule of Five, AB00668691-01 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 AB00668691-01?
The CAS number of AB00668691-01 is 686770-49-0.
What is the molecular formula of AB00668691-01?
The molecular formula of AB00668691-01 is C22H19N3O4S2.
What is the molecular weight of AB00668691-01?
The molecular weight of AB00668691-01 is 453.08 g/mol.
Where can I buy AB00668691-01?
You can request a quote for AB00668691-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668691-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668691-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.