Bis(3-amino)triostin A
TL;DR: Bis(3-amino)triostin A (CAS 85502-71-2) is a chemical compound with molecular formula C50H64N14O12S2 and molecular weight 1116.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
Also Known As: Bis(3-amino)triostin A, Triostin A, 1-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-5-(N-((3-amino-2-quinoxalinyl)carbonyl)-D-serine)-, 3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
| Molecular Formula | C50H64N14O12S2 |
|---|---|
| Molecular Weight | 1116.43 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 1116.427 |
| Heavy Atoms | 78 |
| Complexity | 2080.0 |
Chemical Identifiers
| CAS Number | 85502-71-2 |
|---|---|
| SMILES | CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3N)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5N)C)C)C |
| InChIKey | SRJRNFRLRQNCBB-UHFFFAOYSA-N |
Product Overview
Bis(3-amino)triostin A (CAS 85502-71-2), with molecular formula C50H64N14O12S2 and molecular weight 1116.43 g/mol. IUPAC: 3-amino-N-[20-[(3-aminoquinoxaline-2-carbonyl)amino]-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide.
Chemical Property Profile of Bis(3-amino)triostin A
Property Insights of Bis(3-amino)triostin A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(3-amino)triostin A. The TPSA of 404.0 Ų indicates high polarity, suggesting Bis(3-amino)triostin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(3-amino)triostin A has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3-amino)triostin A?
The CAS number of Bis(3-amino)triostin A is 85502-71-2.
What is the molecular formula of Bis(3-amino)triostin A?
The molecular formula of Bis(3-amino)triostin A is C50H64N14O12S2.
What is the molecular weight of Bis(3-amino)triostin A?
The molecular weight of Bis(3-amino)triostin A is 1116.43 g/mol.
Where can I buy Bis(3-amino)triostin A?
You can request a quote for Bis(3-amino)triostin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-amino)triostin A?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-amino)triostin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.