RefChem:1100030
TL;DR: RefChem:1100030 (CAS 100650-73-5) is a chemical compound with molecular formula C26H30N6O14S8 and molecular weight 905.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-(aminomethyl)-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol);tris((E)-but-2-enedioic acid)
Also Known As: 1,4,6,7-Tetrahydrothiopyrano(3,4-d)imidazole-4-methanamine (E)-2-butenedioate (2:3), Thiopyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-, (E)-2-butenedioate (2:3), 4-Aminomethyl-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole fumarate (2:3), 4-(aminomethyl)-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol; (E)-but-2-enedioic acid, RefChem:1100030
| Molecular Formula | C26H30N6O14S8 |
|---|---|
| Molecular Weight | 905.96 g/mol |
| LogP | 1.4018 |
| Topological Polar Surface Area | 329.94 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 905.95856 |
| Heavy Atoms | 54 |
| Complexity | 1682.0652 |
Chemical Identifiers
| CAS Number | 100650-73-5 |
|---|---|
| SMILES | C1=NC2=C(N1S)C(=C(OC2(S)CN)S)S.C1=NC2=C(N1S)C(=C(OC2(S)CN)S)S.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100030 (CAS 100650-73-5), with molecular formula C26H30N6O14S8 and molecular weight 905.96 g/mol. IUPAC: bis(4-(aminomethyl)-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol);tris((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1100030
Property Insights of RefChem:1100030
The XLogP value of 1.4018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1100030. The TPSA of 329.94 Ų indicates high polarity, suggesting RefChem:1100030 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1100030 has 16 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 RefChem:1100030?
The CAS number of RefChem:1100030 is 100650-73-5.
What is the molecular formula of RefChem:1100030?
The molecular formula of RefChem:1100030 is C26H30N6O14S8.
What is the molecular weight of RefChem:1100030?
The molecular weight of RefChem:1100030 is 905.96 g/mol.
Where can I buy RefChem:1100030?
You can request a quote for RefChem:1100030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100030?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.