![2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid structure](/static/products/452/452920-48-8.png)
2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid
TL;DR: 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid (CAS 452920-48-8) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]sulfanylacetic acid
Also Known As: 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 1.3701 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 643.35144 |
Chemical Identifiers
| CAS Number | 452920-48-8 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=S)SCC(=O)O |
Product Overview
2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid (CAS 452920-48-8), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]sulfanylacetic acid.
Chemical Property Profile of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid
Property Insights of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid
The XLogP value of 1.3701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid 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 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid?
The CAS number of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid is 452920-48-8.
What is the molecular formula of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid?
The molecular formula of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid is C14H16N2O3S2.
What is the molecular weight of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid?
The molecular weight of 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid is 324.06 g/mol.
Where can I buy 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid?
You can request a quote for 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonothioyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.