From Dolabella auricularia (sea hare)
TL;DR: From Dolabella auricularia (sea hare) (CAS 110417-88-4) is a chemical compound with molecular formula C42H68N6O6S and molecular weight 784.4921 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
Also Known As: Dolastatin 10, From Dolabella auricularia (sea hare), 2-(2-(dimethylamino)-3-methylbutanamido)-N-(3-methoxy-1-(2-(1-methoxy-2-methyl-3-oxo-3-((2-phenyl-1-(thiazol-2-yl)ethyl)amino)propyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)-N,3-dimethylbutanamide, 2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide, L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
Technical Specifications
| Molecular Formula | C42H68N6O6S |
| Molecular Weight | 784.4921 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 784.4921 Da |
| Heavy Atoms | 55 |
| Complexity | 1220.0 |
| SMILES | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C |
| InChIKey | OFDNQWIFNXBECV-UHFFFAOYSA-N |
Chemical Property Profile of From Dolabella auricularia (sea hare)
Property Insights of From Dolabella auricularia (sea hare)
The XLogP value of 5.8 indicates that From Dolabella auricularia (sea hare) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting From Dolabella auricularia (sea hare) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, From Dolabella auricularia (sea hare) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of From Dolabella auricularia (sea hare)?
The CAS number of From Dolabella auricularia (sea hare) is 110417-88-4.
What is the molecular formula of From Dolabella auricularia (sea hare)?
The molecular formula of From Dolabella auricularia (sea hare) is C42H68N6O6S.
What is the molecular weight of From Dolabella auricularia (sea hare)?
The molecular weight of From Dolabella auricularia (sea hare) is 784.4921 g/mol.
Where can I buy From Dolabella auricularia (sea hare)?
You can request a quote for From Dolabella auricularia (sea hare) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for From Dolabella auricularia (sea hare)?
Yes, CoreyChem provides custom synthesis services for From Dolabella auricularia (sea hare) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.