Singardin
TL;DR: Singardin (CAS 178062-99-2) is a chemical compound with molecular formula C38H48O12 and molecular weight 696.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,34S)-6,21-dimethyl-13,28-bis(prop-1-en-2-yl)-3,18,31,33,35,36-hexaoxaheptacyclo[17.11.2.216,16.16,9.121,24.01,32.04,34]hexatriacontane-2,8,11,17,23,26-hexone
Also Known As: Singardin, NCI60_033071, (1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,34S)-6,21-dimethyl-13,28-bis(prop-1-en-2-yl)-3,18,31,33,35,36-hexaoxaheptacyclo(17.11.2.216,16.16,9.121,24.01,32.04,34)hexatriacontane-2,8,11,17,23,26-hexone, (1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32S,34S)-6,21-dimethyl-13,28-bis(prop-1-en-2-yl)-3,18,31,33,35,36-hexaoxaheptacyclo(17.11.2.216,16.16,9.121,24.01,32.04,34)hexatriacontane-2,8,11,17,23,26-hexone, RefChem:931773
| Molecular Formula | C38H48O12 |
|---|---|
| Molecular Weight | 696.31 g/mol |
| LogP | 3.7832 |
| Topological Polar Surface Area | 164.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 696.3146 |
| Heavy Atoms | 50 |
| Complexity | 1451.6509 |
Chemical Identifiers
| CAS Number | 178062-99-2 |
|---|---|
| SMILES | CC(=C)[C@H]1CC[C@]23[C@H](O2)[C@@H](C[C@]4(CC(=O)[C@@H](O4)CC(=O)C1)C)OC(=O)[C@@]56CC[C@@H](CC(=O)C[C@@H]7C(=O)C[C@@](O7)(C[C@H]([C@@H]5O6)OC3=O)C)C(=C)C |
Product Overview
Singardin (CAS 178062-99-2), with molecular formula C38H48O12 and molecular weight 696.31 g/mol. IUPAC: (1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,34S)-6,21-dimethyl-13,28-bis(prop-1-en-2-yl)-3,18,31,33,35,36-hexaoxaheptacyclo[17.11.2.216,16.16,9.121,24.01,32.04,34]hexatriacontane-2,8,11,17,23,26-hexone.
Chemical Property Profile of Singardin
Property Insights of Singardin
The XLogP value of 3.7832 indicates that Singardin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.4 Ų indicates high polarity, suggesting Singardin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Singardin has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Singardin?
The CAS number of Singardin is 178062-99-2.
What is the molecular formula of Singardin?
The molecular formula of Singardin is C38H48O12.
What is the molecular weight of Singardin?
The molecular weight of Singardin is 696.31 g/mol.
Where can I buy Singardin?
You can request a quote for Singardin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Singardin?
Yes, KEHONG BIO provides custom synthesis services for Singardin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.