![2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide structure](/static/products/121/1212471-02-7.png)
2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide
TL;DR: 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide (CAS 1212471-02-7) is a chemical compound with molecular formula C18H23N5O2S2 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
Also Known As: 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide, 2-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-N-[3-(propylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide
| Molecular Formula | C18H23N5O2S2 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 2.2597 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.1293 |
| Heavy Atoms | 27 |
| Complexity | 880.6321 |
Chemical Identifiers
| CAS Number | 1212471-02-7 |
|---|---|
| SMILES | CCCSC1=NSC(=N1)NC(=O)CN2C[C@@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
Product Overview
2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide (CAS 1212471-02-7), with molecular formula C18H23N5O2S2 and molecular weight 405.13 g/mol. IUPAC: 2-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
Chemical Property Profile of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide
Property Insights of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide
The XLogP value of 2.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide. Following Lipinski's Rule of Five, 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide 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 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide?
The CAS number of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide is 1212471-02-7.
What is the molecular formula of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide?
The molecular formula of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide is C18H23N5O2S2.
What is the molecular weight of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide?
The molecular weight of 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide is 405.13 g/mol.
Where can I buy 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide?
You can request a quote for 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)-N-(3-(propylthio)-1,2,4-thiadiazol-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.