Delavaine A
TL;DR: Delavaine A (CAS 109291-57-8) is a chemical compound with molecular formula C38H54N2O11 and molecular weight 714.37274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate
Also Known As: Delavaine A, [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate, Aconitane-7,8-diol, 20-ethyl-1,6,14,16-tetramethoxy-4-(((2-((4-methoxy-2-methyl-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-, (1alpha,6beta,14alpha,16beta)-, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol, C08674
Technical Specifications
| Molecular Formula | C38H54N2O11 |
| Molecular Weight | 714.37274 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 714.37274 Da |
| Heavy Atoms | 51 |
| Complexity | 1370.0 |
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C(C)CC(=O)OC |
| InChIKey | JCUPDVBWNHFOAD-LVBPXUMQSA-N |
Product Description
Applications: Delavaine A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Delavaine A (CAS 109291-57-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Delavaine A (CAS 109291-57-8) is a fine chemical with the molecular formula C38H54N2O11 and a molecular weight of 714.37 g/mol. It is also known as Delavaine A and [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]benzoate.
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 Delavaine A
Property Insights of Delavaine A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Delavaine A. The TPSA of 162.0 Ų indicates high polarity, suggesting Delavaine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Delavaine A has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Delavaine A?
The CAS number of Delavaine A is 109291-57-8.
What is the molecular formula of Delavaine A?
The molecular formula of Delavaine A is C38H54N2O11.
What is the molecular weight of Delavaine A?
The molecular weight of Delavaine A is 714.37274 g/mol.
What are the applications of Delavaine A?
Delavaine A is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Delavaine A (CAS 109291-57-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy Delavaine A?
You can request a quote for Delavaine A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Delavaine A?
Yes, CoreyChem provides custom synthesis services for Delavaine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.