Amaninamide, S-deoxo-abu(1)-ile(3)-
TL;DR: Amaninamide, S-deoxo-abu(1)-ile(3)- (CAS 129274-06-2) is a chemical compound with molecular formula C39H55N9O9S and molecular weight 825.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,8R,10S,13S,34S)-13,34-bis[(2S)-butan-2-yl]-4-ethyl-8-hydroxy-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraene-2,5,11,14,30,33,36,39-octone
Also Known As: 1-S-Deoxo-abu-3-ile-amaninamide, Amaninamide, S-deoxo-abu(1)-ile(3)-, Benzoic acid,2,4,6-trihydroxy-3-nitro, 1-(L-2-Aminobutanoic acid)-3-L-isoleucine-4-(2-mercapto-L-tryptophan)-alpha-amanitin de-S-oxide, Amaninamide, S-deoxo-alpha-aminobutyryl acid(1)-isoleucine(3)-
| Molecular Formula | C39H55N9O9S |
|---|---|
| Molecular Weight | 825.38 g/mol |
| LogP | -1.0499 |
| Topological Polar Surface Area | 260.03 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 825.38434 |
| Heavy Atoms | 58 |
| Complexity | 1905.8618 |
Chemical Identifiers
| CAS Number | 129274-06-2 |
|---|---|
| SMILES | CC[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@H](C(=O)NC3CC4=C(NC5=CC=CC=C45)SC[C@@H](C(=O)N1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC3=O)[C@@H](C)CC)[C@@H](C)CC)O |
Product Overview
Amaninamide, S-deoxo-abu(1)-ile(3)- (CAS 129274-06-2), with molecular formula C39H55N9O9S and molecular weight 825.38 g/mol. IUPAC: (1R,4S,8R,10S,13S,34S)-13,34-bis[(2S)-butan-2-yl]-4-ethyl-8-hydroxy-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraene-2,5,11,14,30,33,36,39-octone.
Chemical Property Profile of Amaninamide, S-deoxo-abu(1)-ile(3)-
Property Insights of Amaninamide, S-deoxo-abu(1)-ile(3)-
The XLogP value of -1.0499 indicates that Amaninamide, S-deoxo-abu(1)-ile(3)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.03 Ų indicates high polarity, suggesting Amaninamide, S-deoxo-abu(1)-ile(3)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amaninamide, S-deoxo-abu(1)-ile(3)- has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amaninamide, S-deoxo-abu(1)-ile(3)-?
The CAS number of Amaninamide, S-deoxo-abu(1)-ile(3)- is 129274-06-2.
What is the molecular formula of Amaninamide, S-deoxo-abu(1)-ile(3)-?
The molecular formula of Amaninamide, S-deoxo-abu(1)-ile(3)- is C39H55N9O9S.
What is the molecular weight of Amaninamide, S-deoxo-abu(1)-ile(3)-?
The molecular weight of Amaninamide, S-deoxo-abu(1)-ile(3)- is 825.38 g/mol.
Where can I buy Amaninamide, S-deoxo-abu(1)-ile(3)-?
You can request a quote for Amaninamide, S-deoxo-abu(1)-ile(3)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amaninamide, S-deoxo-abu(1)-ile(3)-?
Yes, KEHONG BIO provides custom synthesis services for Amaninamide, S-deoxo-abu(1)-ile(3)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.