CTK2I0272
TL;DR: CTK2I0272 (CAS 76362-13-5) is a chemical compound with molecular formula C26H29NO8 and molecular weight 483.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
Also Known As: but-2-enedioic acid; [1-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-ylmethyl)-4-piperidyl]-(4-methoxyphenyl)methanone, Methanone, (1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-piperidinyl)(4-methoxyphenyl)-, (E)-2-butenedioate
| Molecular Formula | C26H29NO8 |
|---|---|
| Molecular Weight | 483.19 g/mol |
| LogP | 3.1417 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.18933 |
| Heavy Atoms | 35 |
| Complexity | 1025.5723 |
Chemical Identifiers
| CAS Number | 76362-13-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3COC4=CC=CC=C4O3.C(=CC(=O)O)C(=O)O |
Product Overview
CTK2I0272 (CAS 76362-13-5), with molecular formula C26H29NO8 and molecular weight 483.19 g/mol. IUPAC: but-2-enedioic acid;[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of CTK2I0272
Property Insights of CTK2I0272
The XLogP value of 3.1417 indicates that CTK2I0272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2I0272. Following Lipinski's Rule of Five, CTK2I0272 has 2 hydrogen bond donor(s) and 7 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 CTK2I0272?
The CAS number of CTK2I0272 is 76362-13-5.
What is the molecular formula of CTK2I0272?
The molecular formula of CTK2I0272 is C26H29NO8.
What is the molecular weight of CTK2I0272?
The molecular weight of CTK2I0272 is 483.19 g/mol.
Where can I buy CTK2I0272?
You can request a quote for CTK2I0272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2I0272?
Yes, KEHONG BIO provides custom synthesis services for CTK2I0272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.