AN-664/42026377
TL;DR: AN-664/42026377 (CAS 666820-08-2) is a chemical compound with molecular formula C17H15N5OS and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
Also Known As: AN-664/42026377, 3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4,5-dihydro-3H-1-benzazepin-2-ol, 3-((5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-{[5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
| Molecular Formula | C17H15N5OS |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.9123 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09973 |
| Heavy Atoms | 24 |
| Complexity | 864.1822 |
Chemical Identifiers
| CAS Number | 666820-08-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC(=O)C1SC3=NNC(=N3)C4=CC=NC=C4 |
Product Overview
AN-664/42026377 (CAS 666820-08-2), with molecular formula C17H15N5OS and molecular weight 337.10 g/mol. IUPAC: 3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
Chemical Property Profile of AN-664/42026377
Property Insights of AN-664/42026377
The XLogP value of 2.9123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-664/42026377. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-664/42026377. Following Lipinski's Rule of Five, AN-664/42026377 has 2 hydrogen bond donor(s) and 5 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 AN-664/42026377?
The CAS number of AN-664/42026377 is 666820-08-2.
What is the molecular formula of AN-664/42026377?
The molecular formula of AN-664/42026377 is C17H15N5OS.
What is the molecular weight of AN-664/42026377?
The molecular weight of AN-664/42026377 is 337.10 g/mol.
Where can I buy AN-664/42026377?
You can request a quote for AN-664/42026377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-664/42026377?
Yes, KEHONG BIO provides custom synthesis services for AN-664/42026377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.