Amythiamicin C
TL;DR: Amythiamicin C (CAS 156620-47-2) is a chemical compound with molecular formula C50H50N14O9S6 and molecular weight 1182.221 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl)methyl 2-[21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25,35-di(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazole-4-carboxylate
Also Known As: Amythiamicin C, (1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl)methyl 2-[21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25,35-di(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazole-4-carboxylate, 4-Thiazolecarboxylic acid, 2-(10,11,17,18,23,24,25,26,27,28-decahydro-14-methyl-11-(2-methylamino)-2-oxoethyl)-18,28-bis(1-methylethyl)-9,16,23,26-tetraoxo-9H,16H-8,5:15,12:22,19:32,29:36,33-pentanitrilo-5H,29H,33H-pyrido(3,2-a1)(1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontin-2-yl)-, (octahydro-1,4-dioxopyrrolo(1,2-a)pyrazin-3-yl)methyl ester, (1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazin-3-yl)methyl 2-(21-methyl-18-(2-(methylamino)-2-oxoethyl)-16,23,30,33-tetraoxo-25,35-di(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo(34.2.1.12,5.112,15.119,22.126,29.06,11)tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl)-1,3-thiazole-4-carboxylate, 4-Thiazolecarboxylic acid,2-(10,11,17,18,23,24,25,26,27,28-decahydro-14-methyl-11-(2-methylamino)-2-oxoethyl)-18,28-bis(1-methylethyl)-9,16,23,26-tetraoxo-9H,16H-8,5:15,12:22,19:32,29:36,33-pentanitrilo-5H,29H,33H-pyrido(3,2-a1)(1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontin-2-yl)-,(octahydro-1,4-dioxopyrrolo(1,2-a)pyrazin-3-yl)methyl ester
Technical Specifications
| Molecular Formula | C50H50N14O9S6 |
| Molecular Weight | 1182.221 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 481.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 1182.221 Da |
| Heavy Atoms | 79 |
| Complexity | 2300.0 |
| SMILES | CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)OCC8C(=O)N9CCCC9C(=O)N8)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C |
| InChIKey | RVTQSVRTXQTCKX-UHFFFAOYSA-N |
Chemical Property Profile of Amythiamicin C
Property Insights of Amythiamicin C
The XLogP value of 4.4 indicates that Amythiamicin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 481.0 Ų indicates high polarity, suggesting Amythiamicin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amythiamicin C has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Amythiamicin C?
The CAS number of Amythiamicin C is 156620-47-2.
What is the molecular formula of Amythiamicin C?
The molecular formula of Amythiamicin C is C50H50N14O9S6.
What is the molecular weight of Amythiamicin C?
The molecular weight of Amythiamicin C is 1182.221 g/mol.
Where can I buy Amythiamicin C?
You can request a quote for Amythiamicin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Amythiamicin C?
Yes, CoreyChem provides custom synthesis services for Amythiamicin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.