鹅膏无毒环肽
TL;DR: 鹅膏无毒环肽 (CAS 21803-57-6) is a chemical compound with molecular formula C39H54N10O12S and molecular weight 886.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鹅膏无毒环肽
2-[13,34-di(butan-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: Amanullin, 3-Isoleucine-alpha-amanitin, alpha-Amanitin, 3-isoleucine-, 2-[21,29-di(butan-2-yl)-2,14-dihydroxy-11-oxido-5,8,20,23,24,27,30,33-octaoxo-1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetamide, 2-(13,34-bis(butan-2-yl)-8,22-dihydroxy-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 | C39H54N10O12S |
|---|---|
| Molecular Weight | 886.36 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 360.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 886.3643 |
| Heavy Atoms | 62 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 21803-57-6 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)CC)C5=C(N3)C=C(C=C5)O |
| InChIKey | QQLVIKWYAVVKKF-UHFFFAOYSA-N |
Product Overview
鹅膏无毒环肽 (CAS 21803-57-6), with molecular formula C39H54N10O12S and molecular weight 886.36 g/mol. IUPAC: 2-[13,34-di(butan-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 鹅膏无毒环肽
Property Insights of 鹅膏无毒环肽
The XLogP value of -2.2 indicates that 鹅膏无毒环肽 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 360.0 Ų indicates high polarity, suggesting 鹅膏无毒环肽 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 鹅膏无毒环肽 has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 鹅膏无毒环肽?
The CAS number of 鹅膏无毒环肽 is 21803-57-6.
What is the molecular formula of 鹅膏无毒环肽?
The molecular formula of 鹅膏无毒环肽 is C39H54N10O12S.
What is the molecular weight of 鹅膏无毒环肽?
The molecular weight of 鹅膏无毒环肽 is 886.36 g/mol.
Where can I buy 鹅膏无毒环肽?
You can request a quote for 鹅膏无毒环肽 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鹅膏无毒环肽?
Yes, KEHONG BIO provides custom synthesis services for 鹅膏无毒环肽 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.