A3472/0147193
TL;DR: A3472/0147193 (CAS 586990-63-8) is a chemical compound with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A3472/0147193, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C18H16N6OS2 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.40948 |
| Topological Polar Surface Area | 107.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.0827 |
| Heavy Atoms | 27 |
| Complexity | 1004.781 |
Chemical Identifiers
| CAS Number | 586990-63-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4)C#N |
Product Overview
A3472/0147193 (CAS 586990-63-8), with molecular formula C18H16N6OS2 and molecular weight 396.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A3472/0147193
Property Insights of A3472/0147193
The XLogP value of 3.40948 indicates that A3472/0147193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3472/0147193. Following Lipinski's Rule of Five, A3472/0147193 has 2 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 A3472/0147193?
The CAS number of A3472/0147193 is 586990-63-8.
What is the molecular formula of A3472/0147193?
The molecular formula of A3472/0147193 is C18H16N6OS2.
What is the molecular weight of A3472/0147193?
The molecular weight of A3472/0147193 is 396.08 g/mol.
Where can I buy A3472/0147193?
You can request a quote for A3472/0147193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3472/0147193?
Yes, KEHONG BIO provides custom synthesis services for A3472/0147193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.