Decaline
TL;DR: Decaline (CAS 17551-28-9) is a chemical compound with molecular formula C26H31NO5 and molecular weight 437.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,15S,17S)-5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
Also Known As: Decaline, Decalin, starbld0040944, Triphosporic acid, triammonium salt, (12S,14S,19AS)-24,25-dimethoxy-11,13,14,16,17,18,19,19a-octahydro-12H-3,8-dioxa-1(4,2)-quinolizina-2(1,2),4(1,4)-dibenzenacyclooctaphan-7-one
| Molecular Formula | C26H31NO5 |
|---|---|
| Molecular Weight | 437.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.2202 |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 17551-28-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)OC |
| InChIKey | PXXNTAGJWPJAGM-VCOUNFBDSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decaline (CAS 17551-28-9), with molecular formula C26H31NO5 and molecular weight 437.22 g/mol. IUPAC: (9S,15S,17S)-5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one.
Chemical Property Profile of Decaline
Property Insights of Decaline
The XLogP value of 4.3 indicates that Decaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Decaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decaline has 0 hydrogen bond donor(s) and 6 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 Decaline?
The CAS number of Decaline is 17551-28-9.
What is the molecular formula of Decaline?
The molecular formula of Decaline is C26H31NO5.
What is the molecular weight of Decaline?
The molecular weight of Decaline is 437.22 g/mol.
Where can I buy Decaline?
You can request a quote for Decaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decaline?
Yes, KEHONG BIO provides custom synthesis services for Decaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.