AB00684507-01
TL;DR: AB00684507-01 (CAS 686771-53-9) is a chemical compound with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: AB00684507-01, F0579-0149, 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, N-(4-nitrophenyl)-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, 2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C21H18N4O4S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.82812 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.07693 |
| Heavy Atoms | 31 |
| Complexity | 1207.7897 |
Chemical Identifiers
| CAS Number | 686771-53-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00684507-01 (CAS 686771-53-9), with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of AB00684507-01
Property Insights of AB00684507-01
The XLogP value of 3.82812 indicates that AB00684507-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684507-01. Following Lipinski's Rule of Five, AB00684507-01 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 AB00684507-01?
The CAS number of AB00684507-01 is 686771-53-9.
What is the molecular formula of AB00684507-01?
The molecular formula of AB00684507-01 is C21H18N4O4S2.
What is the molecular weight of AB00684507-01?
The molecular weight of AB00684507-01 is 454.08 g/mol.
Where can I buy AB00684507-01?
You can request a quote for AB00684507-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684507-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684507-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.