Α-鵝膏蕈鹼
TL;DR: Α-鵝膏蕈鹼 (CAS 58255-46-2) is a chemical compound with molecular formula C39H54N10O14S and molecular weight 918.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-鵝膏蕈鹼
2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
Also Known As: alpha-amanitin, alpha-Amanitine, alpha-Amatoxin, Alpha Amanitine, Alpha Amanitin
| Molecular Formula | C39H54N10O14S |
|---|---|
| Molecular Weight | 918.35 g/mol |
| LogP | -5.9202 |
| Topological Polar Surface Area | 380.88 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 918.3542 |
| Heavy Atoms | 64 |
| Complexity | 2203.1667 |
Chemical Identifiers
| CAS Number | 58255-46-2 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O |
Product Overview
Α-鵝膏蕈鹼 (CAS 58255-46-2), with molecular formula C39H54N10O14S and molecular weight 918.35 g/mol. IUPAC: 2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide.
Chemical Property Profile of Α-鵝膏蕈鹼
Property Insights of Α-鵝膏蕈鹼
The XLogP value of -5.9202 indicates that Α-鵝膏蕈鹼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 380.88 Ų indicates high polarity, suggesting Α-鵝膏蕈鹼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Α-鵝膏蕈鹼 has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Α-鵝膏蕈鹼?
The CAS number of Α-鵝膏蕈鹼 is 58255-46-2.
What is the molecular formula of Α-鵝膏蕈鹼?
The molecular formula of Α-鵝膏蕈鹼 is C39H54N10O14S.
What is the molecular weight of Α-鵝膏蕈鹼?
The molecular weight of Α-鵝膏蕈鹼 is 918.35 g/mol.
Where can I buy Α-鵝膏蕈鹼?
You can request a quote for Α-鵝膏蕈鹼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-鵝膏蕈鹼?
Yes, KEHONG BIO provides custom synthesis services for Α-鵝膏蕈鹼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.