CTK4H7248
TL;DR: CTK4H7248 (CAS 36844-72-1) is a chemical compound with molecular formula C20H23ClN2O7S and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Also Known As: 8-((7-Chloro-1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate, 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((7-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-,(Z)-2-butenedioate (1:1), 8-((7-CHLORO-1,4-BENZODIOXAN-2-YL)METHYL)-3-OXO-1-THIA-4,8-DIAZASPIRO[4.5]DECANE MALEATE
| Molecular Formula | C20H23ClN2O7S |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 1.8467 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.09146 |
| Heavy Atoms | 31 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 36844-72-1 |
|---|---|
| SMILES | C1CN(CCC12NC(=O)CS2)CC3COC4=C(O3)C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | VPLMUOUQBUIJKD-UHFFFAOYSA-N |
Product Overview
CTK4H7248 (CAS 36844-72-1), with molecular formula C20H23ClN2O7S and molecular weight 470.09 g/mol. IUPAC: but-2-enedioic acid;8-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
Chemical Property Profile of CTK4H7248
Property Insights of CTK4H7248
The XLogP value of 1.8467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4H7248. The TPSA of 151.0 Ų indicates high polarity, suggesting CTK4H7248 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4H7248 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4H7248?
The CAS number of CTK4H7248 is 36844-72-1.
What is the molecular formula of CTK4H7248?
The molecular formula of CTK4H7248 is C20H23ClN2O7S.
What is the molecular weight of CTK4H7248?
The molecular weight of CTK4H7248 is 470.09 g/mol.
Where can I buy CTK4H7248?
You can request a quote for CTK4H7248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H7248?
Yes, KEHONG BIO provides custom synthesis services for CTK4H7248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.