Theonellapeptolide Ie
TL;DR: Theonellapeptolide Ie (CAS 109767-22-8) is a chemical compound with molecular formula C71H127N13O16 and molecular weight 1417.9524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(2S)-2-[(2-methoxyacetyl)amino]-3-methylbutanoyl]-methylamino]-4-methyl-N-[(3R,6R,13S,16S,19R,29R,36S,37R)-3,19,26-tris[(2S)-butan-2-yl]-4,13,14,17,27,34,37-heptamethyl-6,29-bis(2-methylpropyl)-2,5,8,12,15,18,21,25,28,31,35-undecaoxo-16-propan-2-yl-1-oxa-4,7,11,14,17,20,24,27,30,34-decazacycloheptatriacont-36-yl]pentanamide
Also Known As: Theonellapeptolide Ie, Theonellapeptolide Id, 4-(N-methyl-beta-alanine)-, (2R)-2-[[(2S)-2-[(2-methoxyacetyl)amino]-3-methylbutanoyl]-methylamino]-4-methyl-N-[(3R,6R,13S,16S,19R,29R,36S,37R)-3,19,26-tris[(2S)-butan-2-yl]-4,13,14,17,27,34,37-heptamethyl-6,29-bis(2-methylpropyl)-2,5,8,12,15,18,21,25,28,31,35-undecaoxo-16-propan-2-yl-1-oxa-4,7,11,14,17,20,24,27,30,34-decazacycloheptatriacont-36-yl]pentanamide
Technical Specifications
| Molecular Formula | C71H127N13O16 |
| Molecular Weight | 1417.9524 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 361.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 1417.9524 Da |
| Heavy Atoms | 100 |
| Complexity | 2760.0 |
| SMILES | CC[C@H](C)[C@@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)N[C@@H](C(=O)N([C@@H](C(=O)O[C@@H]([C@@H](C(=O)N(CCC(=O)N[C@@H](C(=O)N(C(C(=O)NCCC(=O)N1)[C@@H](C)CC)C)CC(C)C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)COC)C)[C@@H](C)CC)C)CC(C)C)C)C)C(C)C)C |
| InChIKey | PAJSMVHANULECY-RVLLJQLFSA-N |
Product Description
Applications: Theonellapeptolide Ie is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Theonellapeptolide Ie (CAS 109767-22-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Theonellapeptolide Ie (CAS 109767-22-8) is a fine chemical with the molecular formula C71H127N13O16 and a molecular weight of 1417.95 g/mol. It is also known as Theonellapeptolide Ie and Theonellapeptolide Id, 4-(N-methyl-beta-alanine)-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Theonellapeptolide Ie
Property Insights of Theonellapeptolide Ie
The XLogP value of 6.0 indicates that Theonellapeptolide Ie is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 361.0 Ų indicates high polarity, suggesting Theonellapeptolide Ie may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theonellapeptolide Ie has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Theonellapeptolide Ie?
The CAS number of Theonellapeptolide Ie is 109767-22-8.
What is the molecular formula of Theonellapeptolide Ie?
The molecular formula of Theonellapeptolide Ie is C71H127N13O16.
What is the molecular weight of Theonellapeptolide Ie?
The molecular weight of Theonellapeptolide Ie is 1417.9524 g/mol.
What are the applications of Theonellapeptolide Ie?
Theonellapeptolide Ie is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Theonellapeptolide Ie (CAS 109767-22-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA,...
Where can I buy Theonellapeptolide Ie?
You can request a quote for Theonellapeptolide Ie directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theonellapeptolide Ie?
Yes, CoreyChem provides custom synthesis services for Theonellapeptolide Ie and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.