TubA
TL;DR: TubA (CAS 205304-86-5) is a chemical compound with molecular formula C43H65N5O10S and molecular weight 843.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
Also Known As: Tubulysin A, TubA, J1.435.028D, 4-({2-[1-(ACETYLOXY)-4-METHYL-3-(3-METHYL-N-{[(3-METHYLBUTANOYL)OXY]METHYL}-2-[(1-METHYLPIPERIDIN-2-YL)FORMAMIDO]PENTANAMIDO)PENTYL]-1,3-THIAZOL-4-YL}FORMAMIDO)-5-(4-HYDROXYPHENYL)-2-METHYLPENTANOIC ACID, 4-[[2-[3-[[(Isovaleryloxy)methyl][2-[[(1-methylpiperidine-2-yl)carbonyl]amino]-3-methylpentanoyl]amino]-4-methyl-1-acetoxypentyl]thiazole-4-yl]carbonylamino]-2-methyl-5-(4-hydroxyphenyl)pentanoic acid
| Molecular Formula | C43H65N5O10S |
|---|---|
| Molecular Weight | 843.45 g/mol |
| LogP | 5.7101 |
| Topological Polar Surface Area | 204.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 843.4452 |
| Heavy Atoms | 59 |
| Complexity | 1716.0712 |
Chemical Identifiers
| CAS Number | 205304-86-5 |
|---|---|
| SMILES | CCC(C)C(C(=O)N(COC(=O)CC(C)C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C |
Product Overview
TubA (CAS 205304-86-5), with molecular formula C43H65N5O10S and molecular weight 843.45 g/mol. IUPAC: 4-[[2-[1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid.
Chemical Property Profile of TubA
Property Insights of TubA
The XLogP value of 5.7101 indicates that TubA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.77 Ų indicates high polarity, suggesting TubA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TubA has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TubA?
The CAS number of TubA is 205304-86-5.
What is the molecular formula of TubA?
The molecular formula of TubA is C43H65N5O10S.
What is the molecular weight of TubA?
The molecular weight of TubA is 843.45 g/mol.
Where can I buy TubA?
You can request a quote for TubA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TubA?
Yes, KEHONG BIO provides custom synthesis services for TubA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.