![(S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate structure](/static/products/956/956777-93-8.png)
(S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate
TL;DR: (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate (CAS 956777-93-8) is a chemical compound with molecular formula C18H25N3O4 and molecular weight 347.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]butanoate
Also Known As: (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate, Methyl (2S)-3-methyl-2-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.07]trideca-2,4-diene-11-carbonyl]amino}butanoate, methyl (2S)-3-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]butanoate, METHYL N-{[(1S,5R)-8-OXO-1,5,6,8-TETRAHYDRO-2H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-3(4H)-YL]CARBONYL}-L-VALINATE
| Molecular Formula | C18H25N3O4 |
|---|---|
| Molecular Weight | 347.18 g/mol |
| LogP | 1.1746 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1845 |
| Heavy Atoms | 25 |
| Complexity | 727.2765 |
Chemical Identifiers
| CAS Number | 956777-93-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)N1C[C@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2 |
Product Overview
(S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate (CAS 956777-93-8), with molecular formula C18H25N3O4 and molecular weight 347.18 g/mol. IUPAC: methyl (2S)-3-methyl-2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]amino]butanoate.
Chemical Property Profile of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate
Property Insights of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate
The XLogP value of 1.1746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate. Following Lipinski's Rule of Five, (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate 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 (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate?
The CAS number of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate is 956777-93-8.
What is the molecular formula of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate?
The molecular formula of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate is C18H25N3O4.
What is the molecular weight of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate?
The molecular weight of (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate is 347.18 g/mol.
Where can I buy (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate?
You can request a quote for (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 3-methyl-2-((1R,5R)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.