Hemiasterlin A
TL;DR: Hemiasterlin A (CAS 169181-24-2) is a chemical compound with molecular formula C29H44N4O4 and molecular weight 512.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4S)-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Also Known As: Hemiasterlin A, hemiasterlins A, (E,4S)-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid, (2E,4S)-4-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanamido]-N,3,3-trimethylbutanamido]-2,5-dimethylhex-2-enoic acid, (2E,4S)-4-[[(S)-2-[[(S)-3-(1H-Indol-3-yl)-1-oxo-2-(methylamino)-3-methylbutyl]amino]-1-oxo-3,3-dimethylbutyl]methylamino]-2,5-dimethyl-2-hexenoic acid
| Molecular Formula | C29H44N4O4 |
|---|---|
| Molecular Weight | 512.34 g/mol |
| LogP | 4.0783 |
| Topological Polar Surface Area | 114.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.33624 |
| Heavy Atoms | 37 |
| Complexity | 1156.1084 |
Chemical Identifiers
| CAS Number | 169181-24-2 |
|---|---|
| SMILES | CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CNC2=CC=CC=C21)NC |
Product Overview
Hemiasterlin A (CAS 169181-24-2), with molecular formula C29H44N4O4 and molecular weight 512.34 g/mol. IUPAC: (E,4S)-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid.
Chemical Property Profile of Hemiasterlin A
Property Insights of Hemiasterlin A
The XLogP value of 4.0783 indicates that Hemiasterlin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemiasterlin A. Following Lipinski's Rule of Five, Hemiasterlin A has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hemiasterlin A?
The CAS number of Hemiasterlin A is 169181-24-2.
What is the molecular formula of Hemiasterlin A?
The molecular formula of Hemiasterlin A is C29H44N4O4.
What is the molecular weight of Hemiasterlin A?
The molecular weight of Hemiasterlin A is 512.34 g/mol.
Where can I buy Hemiasterlin A?
You can request a quote for Hemiasterlin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemiasterlin A?
Yes, KEHONG BIO provides custom synthesis services for Hemiasterlin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.