Proamanullin
TL;DR: Proamanullin (CAS 54532-46-6) is a chemical compound with molecular formula C39H54N10O11S and molecular weight 870.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[13,34-di(butan-2-yl)-22-hydroxy-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: Proamanullin, 2-L-Proline-3-isoleucine-alpha-amanitin, alpha-Amanitin, 2-L-proline-3-isoleucine-, 2-(13,34-bis(butan-2-yl)-22-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo(14.12.11.06,10.018,26.019,24)nonatriaconta-18(26),19,21,23-tetraen-4-yl)acetamide, 2-[13,34-bis(butan-2-yl)-22-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
| Molecular Formula | C39H54N10O11S |
|---|---|
| Molecular Weight | 870.37 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 339.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 870.36945 |
| Heavy Atoms | 61 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 54532-46-6 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC2=O)CC(=O)N)C(C)CC)C5=C(N3)C=C(C=C5)O |
| InChIKey | CTYHFRWAIRSHQT-UHFFFAOYSA-N |
Product Overview
Proamanullin (CAS 54532-46-6), with molecular formula C39H54N10O11S and molecular weight 870.37 g/mol. IUPAC: 2-[13,34-di(butan-2-yl)-22-hydroxy-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 Proamanullin
Property Insights of Proamanullin
The XLogP value of -1.2 indicates that Proamanullin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting Proamanullin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proamanullin has 10 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 Proamanullin?
The CAS number of Proamanullin is 54532-46-6.
What is the molecular formula of Proamanullin?
The molecular formula of Proamanullin is C39H54N10O11S.
What is the molecular weight of Proamanullin?
The molecular weight of Proamanullin is 870.37 g/mol.
Where can I buy Proamanullin?
You can request a quote for Proamanullin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proamanullin?
Yes, KEHONG BIO provides custom synthesis services for Proamanullin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.