CTK4H7391
TL;DR: CTK4H7391 (CAS 36913-71-0) is a chemical compound with molecular formula C21H26N2O8S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Also Known As: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-8-methoxy-1,4-benzodioxin-2-yl)methyl)-, (Z)-2-butenedioate (1:1), but-2-enedioic acid; 8-[(2-methoxy-7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-9-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
| Molecular Formula | C21H26N2O8S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 1.2019 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.141 |
| Heavy Atoms | 32 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 36913-71-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)NC(=O)CS4.C(=CC(=O)O)C(=O)O |
| InChIKey | IJTMIXAPOHQGLG-UHFFFAOYSA-N |
Product Overview
CTK4H7391 (CAS 36913-71-0), with molecular formula C21H26N2O8S and molecular weight 466.14 g/mol. IUPAC: but-2-enedioic acid;8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
Chemical Property Profile of CTK4H7391
Property Insights of CTK4H7391
The XLogP value of 1.2019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4H7391. The TPSA of 160.0 Ų indicates high polarity, suggesting CTK4H7391 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4H7391 has 3 hydrogen bond donor(s) and 10 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 CTK4H7391?
The CAS number of CTK4H7391 is 36913-71-0.
What is the molecular formula of CTK4H7391?
The molecular formula of CTK4H7391 is C21H26N2O8S.
What is the molecular weight of CTK4H7391?
The molecular weight of CTK4H7391 is 466.14 g/mol.
Where can I buy CTK4H7391?
You can request a quote for CTK4H7391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H7391?
Yes, KEHONG BIO provides custom synthesis services for CTK4H7391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.