Thiocillin II
TL;DR: Thiocillin II (CAS 59979-02-1) is a chemical compound with molecular formula C49H51N13O10S6 and molecular weight 1173.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(26E)-26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-(2-hydroxypropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
Also Known As: Thiocillin II
| Molecular Formula | C49H51N13O10S6 |
|---|---|
| Molecular Weight | 1173.22 g/mol |
| LogP | 5.337 |
| Topological Polar Surface Area | 334.75 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 11 |
| Exact Mass | 1173.2206 |
| Heavy Atoms | 78 |
| Complexity | 3455.2583 |
Chemical Identifiers
| CAS Number | 59979-02-1 |
|---|---|
| SMILES | C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)OC)C(C)(C)O |
Product Overview
Thiocillin II (CAS 59979-02-1), with molecular formula C49H51N13O10S6 and molecular weight 1173.22 g/mol. IUPAC: 2-[2-[(26E)-26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-(2-hydroxypropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide.
Chemical Property Profile of Thiocillin II
Property Insights of Thiocillin II
The XLogP value of 5.337 indicates that Thiocillin II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 334.75 Ų indicates high polarity, suggesting Thiocillin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocillin II has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocillin II?
The CAS number of Thiocillin II is 59979-02-1.
What is the molecular formula of Thiocillin II?
The molecular formula of Thiocillin II is C49H51N13O10S6.
What is the molecular weight of Thiocillin II?
The molecular weight of Thiocillin II is 1173.22 g/mol.
Where can I buy Thiocillin II?
You can request a quote for Thiocillin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocillin II?
Yes, KEHONG BIO provides custom synthesis services for Thiocillin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.