Demethylxestospongine B
TL;DR: Demethylxestospongine B (CAS 144789-03-7) is a chemical compound with molecular formula C28H50N2O3 and molecular weight 462.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
Also Known As: Demethylxestospongine B, Demethylxestospongin B, (+)-Desmethylxestospongin B, octadecahydro-2h,5h,12ah,14h-1,23:11,13-diethano[1,11]dioxacycloicosino[10,9-b:20,19-b']dipyridin-4a(24ah)-ol, 9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
| Molecular Formula | C28H50N2O3 |
|---|---|
| Molecular Weight | 462.38 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 462.38214 |
| Heavy Atoms | 33 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 144789-03-7 |
|---|---|
| SMILES | C1CCCC2CCN3CCCC(C3O2)(CCCCCCC4CCN5CCCC(C5O4)CC1)O |
| InChIKey | DAHFKODECRYGAQ-UHFFFAOYSA-N |
Product Overview
Demethylxestospongine B (CAS 144789-03-7), with molecular formula C28H50N2O3 and molecular weight 462.38 g/mol. IUPAC: 9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol.
Chemical Property Profile of Demethylxestospongine B
Property Insights of Demethylxestospongine B
The XLogP value of 6.1 indicates that Demethylxestospongine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, Demethylxestospongine B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethylxestospongine B has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethylxestospongine B?
The CAS number of Demethylxestospongine B is 144789-03-7.
What is the molecular formula of Demethylxestospongine B?
The molecular formula of Demethylxestospongine B is C28H50N2O3.
What is the molecular weight of Demethylxestospongine B?
The molecular weight of Demethylxestospongine B is 462.38 g/mol.
Where can I buy Demethylxestospongine B?
You can request a quote for Demethylxestospongine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylxestospongine B?
Yes, KEHONG BIO provides custom synthesis services for Demethylxestospongine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.