Efrapeptin F
TL;DR: Efrapeptin F (CAS 131353-66-7) is a chemical compound with molecular formula C82H141N18O16+ and molecular weight 1634.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide
Also Known As: Efrapeptin F, Efrapeptin D, 12-L-alanine, (2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide, (2S)-1-acetyl-N-(1-((2S)-2-((1-((1-(((2S)-1-((3-((2-((1-((1-((2S)-2-((1-(((2S)-1-(((2S)-1-(((2S)-1-(((2S)-1-(2,3,4,6,7,8-hexahydropyrrolo(1,2-a)pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl)amino)-2-methyl-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)carbamoyl)piperidin-1-yl)-2-methyl-1-oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)amino)-2-oxoethyl)amino)-3-oxopropyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)carbamoyl)piperidin-1-yl)-2-methyl-1-oxopropan-2-yl)piperidine-2-carboxamide, N-[(2S)-1-{N-[(2S)-1-{N-[(2S)-1-Acetylpiperidine-2-carbonyl]-2-methylalanyl}piperidine-2-carbonyl]-2-methylalanyl-2-methylalanyl-L-leucyl-beta-alanylglycyl-2-methylalanyl-2-methylalanyl}piperidine-2-carbonyl]-2-methylalanyl-L-alanyl-L-leucyl-N-[(2S)-1-(2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]-L-isovalinamide
| Molecular Formula | C82H141N18O16+ |
|---|---|
| Molecular Weight | 1634.08 g/mol |
| LogP | 1.4337 |
| Topological Polar Surface Area | 445.48 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 38 |
| Exact Mass | 1634.0773 |
| Heavy Atoms | 116 |
| Complexity | 3642.0732 |
Chemical Identifiers
| CAS Number | 131353-66-7 |
|---|---|
| SMILES | CC[C@@](C)(C(=O)N[C@@H](CC(C)C)CN1CCC[N+]2=C1CCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]3CCCCN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H]4CCCCN4C(=O)C(C)(C)NC(=O)[C@@H]5CCCCN5C(=O)C |
Product Overview
Efrapeptin F (CAS 131353-66-7), with molecular formula C82H141N18O16+ and molecular weight 1634.08 g/mol. IUPAC: (2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide.
Chemical Property Profile of Efrapeptin F
Property Insights of Efrapeptin F
The XLogP value of 1.4337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Efrapeptin F. The TPSA of 445.48 Ų indicates high polarity, suggesting Efrapeptin F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Efrapeptin F has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Efrapeptin F?
The CAS number of Efrapeptin F is 131353-66-7.
What is the molecular formula of Efrapeptin F?
The molecular formula of Efrapeptin F is C82H141N18O16+.
What is the molecular weight of Efrapeptin F?
The molecular weight of Efrapeptin F is 1634.08 g/mol.
Where can I buy Efrapeptin F?
You can request a quote for Efrapeptin F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Efrapeptin F?
Yes, KEHONG BIO provides custom synthesis services for Efrapeptin F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.