CTK3J9161
TL;DR: CTK3J9161 (CAS 100650-75-7) is a chemical compound with molecular formula C16H21N3O5S4 and molecular weight 463.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-[(cyclopentylamino)methyl]-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol
Also Known As: 4-[(CYCLOPENTYLAMINO)METHYL]PYRANO[3,4-D]IMIDAZOLE-1,4,6,7(4H)-TETRATHIOL MALEATE, 4-(N-Cyclopentylaminomethyl)-1(3),4,6,7-tetrahydro-1(3H)-thiopyrano(3,4-d)imidazole fumarate, Thiopyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-((cyclopentylamino)methyl)-, fumarate (1:1)
| Molecular Formula | C16H21N3O5S4 |
|---|---|
| Molecular Weight | 463.04 g/mol |
| LogP | 2.4185 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.0364 |
| Heavy Atoms | 28 |
| Complexity | 788.20044 |
Chemical Identifiers
| CAS Number | 100650-75-7 |
|---|---|
| SMILES | C1CCC(C1)NCC2(C3=C(C(=C(O2)S)S)N(C=N3)S)S.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3J9161 (CAS 100650-75-7), with molecular formula C16H21N3O5S4 and molecular weight 463.04 g/mol. IUPAC: but-2-enedioic acid;4-[(cyclopentylamino)methyl]-1-sulfanylpyrano[3,4-d]imidazole-4,6,7-trithiol.
Chemical Property Profile of CTK3J9161
Property Insights of CTK3J9161
The XLogP value of 2.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3J9161. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3J9161. Following Lipinski's Rule of Five, CTK3J9161 has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3J9161?
The CAS number of CTK3J9161 is 100650-75-7.
What is the molecular formula of CTK3J9161?
The molecular formula of CTK3J9161 is C16H21N3O5S4.
What is the molecular weight of CTK3J9161?
The molecular weight of CTK3J9161 is 463.04 g/mol.
Where can I buy CTK3J9161?
You can request a quote for CTK3J9161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3J9161?
Yes, KEHONG BIO provides custom synthesis services for CTK3J9161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.