AB00685712-01
TL;DR: AB00685712-01 (CAS 442865-34-1) is a chemical compound with molecular formula C18H13N5OS3 and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: AB00685712-01, AF-399/40920944, F1174-1047, N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
| Molecular Formula | C18H13N5OS3 |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 4.09668 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.02823 |
| Heavy Atoms | 27 |
| Complexity | 1229.284 |
Chemical Identifiers
| CAS Number | 442865-34-1 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
AB00685712-01 (CAS 442865-34-1), with molecular formula C18H13N5OS3 and molecular weight 411.03 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of AB00685712-01
Property Insights of AB00685712-01
The XLogP value of 4.09668 indicates that AB00685712-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685712-01. Following Lipinski's Rule of Five, AB00685712-01 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 AB00685712-01?
The CAS number of AB00685712-01 is 442865-34-1.
What is the molecular formula of AB00685712-01?
The molecular formula of AB00685712-01 is C18H13N5OS3.
What is the molecular weight of AB00685712-01?
The molecular weight of AB00685712-01 is 411.03 g/mol.
Where can I buy AB00685712-01?
You can request a quote for AB00685712-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685712-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685712-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.