AO-080/42479513
TL;DR: AO-080/42479513 (CAS 634172-58-0) is a chemical compound with molecular formula C15H18BrN5OS and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
Also Known As: AO-080/42479513, 5-bromo-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide, 5-bromo-N-{5-[2-(1-piperidinyl)ethyl]-1,3,4-thiadiazol-2-yl}nicotinamide
| Molecular Formula | C15H18BrN5OS |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 2.9763 |
| Topological Polar Surface Area | 71.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.04153 |
| Heavy Atoms | 23 |
| Complexity | 671.3918 |
Chemical Identifiers
| CAS Number | 634172-58-0 |
|---|---|
| SMILES | C1CCN(CC1)CCC2=NN=C(S2)NC(=O)C3=CC(=CN=C3)Br |
Product Overview
AO-080/42479513 (CAS 634172-58-0), with molecular formula C15H18BrN5OS and molecular weight 395.04 g/mol. IUPAC: 5-bromo-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of AO-080/42479513
Property Insights of AO-080/42479513
The XLogP value of 2.9763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/42479513. The TPSA of 71.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479513. Following Lipinski's Rule of Five, AO-080/42479513 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 AO-080/42479513?
The CAS number of AO-080/42479513 is 634172-58-0.
What is the molecular formula of AO-080/42479513?
The molecular formula of AO-080/42479513 is C15H18BrN5OS.
What is the molecular weight of AO-080/42479513?
The molecular weight of AO-080/42479513 is 395.04 g/mol.
Where can I buy AO-080/42479513?
You can request a quote for AO-080/42479513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479513?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.