AB00684388-01
TL;DR: AB00684388-01 (CAS 476459-06-0) is a chemical compound with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
Also Known As: AB00684388-01, F0529-0102, 2-(benzylsulfanyl)-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]acetamide, 2-(benzylthio)-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide, 2-benzylsulfanyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.3992 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1035.8848 |
Chemical Identifiers
| CAS Number | 476459-06-0 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CSCC4=CC=CC=C4 |
Product Overview
AB00684388-01 (CAS 476459-06-0), with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol. IUPAC: 2-benzylsulfanyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
Chemical Property Profile of AB00684388-01
Property Insights of AB00684388-01
The XLogP value of 4.3992 indicates that AB00684388-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684388-01. Following Lipinski's Rule of Five, AB00684388-01 has 1 hydrogen bond donor(s) and 6 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 AB00684388-01?
The CAS number of AB00684388-01 is 476459-06-0.
What is the molecular formula of AB00684388-01?
The molecular formula of AB00684388-01 is C20H18N4O3S2.
What is the molecular weight of AB00684388-01?
The molecular weight of AB00684388-01 is 426.08 g/mol.
Where can I buy AB00684388-01?
You can request a quote for AB00684388-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684388-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684388-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.