CTK4A1147
TL;DR: CTK4A1147 (CAS 102504-98-3) is a chemical compound with molecular formula C28H35N3O7S and molecular weight 557.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-methyl-1-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: 1,3,8-Triazaspiro(4,5)decan-4-one, 3-methyl-1-phenyl-8-(3-(2-(2-thienyl)-1,3-dioxolan-2-yl)propyl)-, fumarate, 3-METHYL-1-PHENYL-8-(3-(2-(2-THIENYL)-1,3-DIOXOLAN-2-YL)PROPYL)-1,3,8-TRIAZASPIRO(4,5)DECAN-4-ONE FUMARATE
| Molecular Formula | C28H35N3O7S |
|---|---|
| Molecular Weight | 557.22 g/mol |
| LogP | 3.2104 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.21954 |
| Heavy Atoms | 39 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 102504-98-3 |
|---|---|
| SMILES | CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=CS4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O |
| InChIKey | ZHYGZHJQHJDEGT-UHFFFAOYSA-N |
Product Overview
CTK4A1147 (CAS 102504-98-3), with molecular formula C28H35N3O7S and molecular weight 557.22 g/mol. IUPAC: but-2-enedioic acid;3-methyl-1-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of CTK4A1147
Property Insights of CTK4A1147
The XLogP value of 3.2104 indicates that CTK4A1147 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting CTK4A1147 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4A1147 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4A1147?
The CAS number of CTK4A1147 is 102504-98-3.
What is the molecular formula of CTK4A1147?
The molecular formula of CTK4A1147 is C28H35N3O7S.
What is the molecular weight of CTK4A1147?
The molecular weight of CTK4A1147 is 557.22 g/mol.
Where can I buy CTK4A1147?
You can request a quote for CTK4A1147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4A1147?
Yes, KEHONG BIO provides custom synthesis services for CTK4A1147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.