AP-906/12945436
TL;DR: AP-906/12945436 (CAS 342014-25-9) is a chemical compound with molecular formula C15H12BrN3OS and molecular weight 360.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
Also Known As: AP-906/12945436, 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide, 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)nicotinamide, 5-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide, (5-bromo(3-pyridyl))-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbo xamide
| Molecular Formula | C15H12BrN3OS |
|---|---|
| Molecular Weight | 360.99 g/mol |
| LogP | 3.90838 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.98846 |
| Heavy Atoms | 21 |
| Complexity | 747.86237 |
Chemical Identifiers
| CAS Number | 342014-25-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CN=C3)Br)C#N |
Product Overview
AP-906/12945436 (CAS 342014-25-9), with molecular formula C15H12BrN3OS and molecular weight 360.99 g/mol. IUPAC: 5-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide.
Chemical Property Profile of AP-906/12945436
Property Insights of AP-906/12945436
The XLogP value of 3.90838 indicates that AP-906/12945436 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/12945436. Following Lipinski's Rule of Five, AP-906/12945436 has 1 hydrogen bond donor(s) and 4 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 AP-906/12945436?
The CAS number of AP-906/12945436 is 342014-25-9.
What is the molecular formula of AP-906/12945436?
The molecular formula of AP-906/12945436 is C15H12BrN3OS.
What is the molecular weight of AP-906/12945436?
The molecular weight of AP-906/12945436 is 360.99 g/mol.
Where can I buy AP-906/12945436?
You can request a quote for AP-906/12945436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/12945436?
Yes, KEHONG BIO provides custom synthesis services for AP-906/12945436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.