Decalin
TL;DR: Decalin (CAS 14727-56-1) 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.
(9R,15R,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: Decalin, Triphosporic acid, triammonium salt, 6,9-etheno-14,21-methano-12H,14H,21H-pyrido(2,1-l)(1,9,13)benzodioxaazacyclohexadecin-12-one, 10,11,15,15a,16,17,18,19-octahydro-2,3-dimethoxy-, (14S-(14R*,15aR*,21R*))-
| 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 | 14727-56-1 |
|---|---|
| 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-KAGYGMCKSA-N |
Product Overview
Decalin (CAS 14727-56-1), with molecular formula C26H31NO5 and molecular weight 437.22 g/mol. IUPAC: (9R,15R,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 Decalin
Property Insights of Decalin
The XLogP value of 4.3 indicates that Decalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Decalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decalin 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 Decalin?
The CAS number of Decalin is 14727-56-1.
What is the molecular formula of Decalin?
The molecular formula of Decalin is C26H31NO5.
What is the molecular weight of Decalin?
The molecular weight of Decalin is 437.22 g/mol.
Where can I buy Decalin?
You can request a quote for Decalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decalin?
Yes, KEHONG BIO provides custom synthesis services for Decalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.