![(1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide structure](/static/products/956/956624-17-2.png)
(1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
TL;DR: (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide (CAS 956624-17-2) is a chemical compound with molecular formula C31H35N5O3S and molecular weight 557.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide, (1S,5S)-N-[(2S)-1-[(9-ethyl-9H-carbazol-3-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
| Molecular Formula | C31H35N5O3S |
|---|---|
| Molecular Weight | 557.25 g/mol |
| LogP | 4.8652 |
| Topological Polar Surface Area | 88.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 557.24603 |
| Heavy Atoms | 40 |
| Complexity | 1643.2952 |
Chemical Identifiers
| CAS Number | 956624-17-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)NC(=O)[C@H](CCSC)NC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C6=CC=CC=C61 |
Product Overview
(1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide (CAS 956624-17-2), with molecular formula C31H35N5O3S and molecular weight 557.25 g/mol. IUPAC: (1S,9S)-N-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
Property Insights of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
The XLogP value of 4.8652 indicates that (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide. Following Lipinski's Rule of Five, (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The CAS number of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is 956624-17-2.
What is the molecular formula of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The molecular formula of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is C31H35N5O3S.
What is the molecular weight of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
The molecular weight of (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide is 557.25 g/mol.
Where can I buy (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
You can request a quote for (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1R,5R)-N-((S)-1-((9-ethyl-9H-carbazol-3-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.