Xestospongin B
TL;DR: Xestospongin B (CAS 123000-02-2) is a chemical compound with molecular formula C29H52N2O3 and molecular weight 476.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
32-methyl-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
Also Known As: Xestospongin B, Xestospongine B, Araguspongin B, (+)-Xestospongin B, 32-Methyl-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
| Molecular Formula | C29H52N2O3 |
|---|---|
| Molecular Weight | 476.40 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 476.3978 |
| Heavy Atoms | 34 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 123000-02-2 |
|---|---|
| SMILES | CC1CN2CCCC3C2OC1CCCCCCC4(CCCN5C4OC(CCCCCC3)CC5)O |
| InChIKey | VJEURJNEIZLTJG-UHFFFAOYSA-N |
Product Overview
Xestospongin B (CAS 123000-02-2), with molecular formula C29H52N2O3 and molecular weight 476.40 g/mol. IUPAC: 32-methyl-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol.
Chemical Property Profile of Xestospongin B
Property Insights of Xestospongin B
The XLogP value of 6.6 indicates that Xestospongin 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, Xestospongin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xestospongin 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 Xestospongin B?
The CAS number of Xestospongin B is 123000-02-2.
What is the molecular formula of Xestospongin B?
The molecular formula of Xestospongin B is C29H52N2O3.
What is the molecular weight of Xestospongin B?
The molecular weight of Xestospongin B is 476.40 g/mol.
Where can I buy Xestospongin B?
You can request a quote for Xestospongin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xestospongin B?
Yes, KEHONG BIO provides custom synthesis services for Xestospongin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.