Crystallopicrin
TL;DR: Crystallopicrin (CAS 139039-72-8) is a chemical compound with molecular formula C30H54O6 and molecular weight 510.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(E)-7-[3-(1,3-dihydroxypropan-2-ylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl]-4-methylhept-4-enylidene]-6-methylheptane-1,5,6-triol
Also Known As: Crystallopicrin, Crystallopicrin 1, (2E)-2-[(E)-7-[3-(1,3-dihydroxypropan-2-ylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl]-4-methylhept-4-enylidene]-6-methylheptane-1,5,6-triol, 1,5,6-Heptanetriol, 2-(7-(3-(2-hydroxy-1-(hydroxymethyl)ethylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl)-4-methyl-4-heptenylidene)-6-methyl-, RefChem:128668
| Molecular Formula | C30H54O6 |
|---|---|
| Molecular Weight | 510.39 g/mol |
| LogP | 4.4299 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 510.39203 |
| Heavy Atoms | 36 |
| Complexity | 726.21136 |
Chemical Identifiers
| CAS Number | 139039-72-8 |
|---|---|
| SMILES | CC1CCC(=C(CO)CO)C(C1(C)CC/C=C(\C)/CC/C=C(\CCC(C(C)(C)O)O)/CO)CCCO |
Product Overview
Crystallopicrin (CAS 139039-72-8), with molecular formula C30H54O6 and molecular weight 510.39 g/mol. IUPAC: (2E)-2-[(E)-7-[3-(1,3-dihydroxypropan-2-ylidene)-2-(3-hydroxypropyl)-1,6-dimethylcyclohexyl]-4-methylhept-4-enylidene]-6-methylheptane-1,5,6-triol.
Chemical Property Profile of Crystallopicrin
Property Insights of Crystallopicrin
The XLogP value of 4.4299 indicates that Crystallopicrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Crystallopicrin. Following Lipinski's Rule of Five, Crystallopicrin has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crystallopicrin?
The CAS number of Crystallopicrin is 139039-72-8.
What is the molecular formula of Crystallopicrin?
The molecular formula of Crystallopicrin is C30H54O6.
What is the molecular weight of Crystallopicrin?
The molecular weight of Crystallopicrin is 510.39 g/mol.
Where can I buy Crystallopicrin?
You can request a quote for Crystallopicrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crystallopicrin?
Yes, KEHONG BIO provides custom synthesis services for Crystallopicrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.