Tubulysin E
TL;DR: Tubulysin E (CAS 309935-58-8) is a chemical compound with molecular formula C42H63N5O9S and molecular weight 813.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1-acetyloxy-3-[butanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
Also Known As: Tubulysin E, J1.435.031D, Benzenepentanoic acid,g-[[[2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]carbonyl]amino]-1-oxopentyl][(1-oxobutoxy)methyl]amino]pentyl]-4-thiazolyl]carbonyl]amino]-a-methyl-, (aS,gR)-, 4-({2-[1-(acetyloxy)-3-{N-[(butanoyloxy)methyl]-3-methyl-2-[(1-methylpiperidin-2-yl)formamido]pentanamido}-4-methylpentyl]-1,3-thiazol-4-yl}formamido)-2-methyl-5-phenylpentanoic acid, 4-[[2-[3-[[(Butyryloxy)methyl][2-[[(1-methylpiperidine-2-yl)carbonyl]amino]-3-methylpentanoyl]amino]-4-methyl-1-acetoxypentyl]thiazole-4-yl]carbonylamino]-2-methyl-5-phenylpentanoic acid
| Molecular Formula | C42H63N5O9S |
|---|---|
| Molecular Weight | 813.43 g/mol |
| LogP | 5.7585 |
| Topological Polar Surface Area | 184.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 813.43463 |
| Heavy Atoms | 57 |
| Complexity | 1636.1075 |
Chemical Identifiers
| CAS Number | 309935-58-8 |
|---|---|
| SMILES | CCCC(=O)OCN(C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)C(=O)C(C(C)CC)NC(=O)C3CCCCN3C |
Product Overview
Tubulysin E (CAS 309935-58-8), with molecular formula C42H63N5O9S and molecular weight 813.43 g/mol. IUPAC: 4-[[2-[1-acetyloxy-3-[butanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid.
Chemical Property Profile of Tubulysin E
Property Insights of Tubulysin E
The XLogP value of 5.7585 indicates that Tubulysin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.54 Ų indicates high polarity, suggesting Tubulysin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tubulysin E has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tubulysin E?
The CAS number of Tubulysin E is 309935-58-8.
What is the molecular formula of Tubulysin E?
The molecular formula of Tubulysin E is C42H63N5O9S.
What is the molecular weight of Tubulysin E?
The molecular weight of Tubulysin E is 813.43 g/mol.
Where can I buy Tubulysin E?
You can request a quote for Tubulysin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubulysin E?
Yes, KEHONG BIO provides custom synthesis services for Tubulysin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.