Dinordrin
TL;DR: Dinordrin (CAS 64675-08-7) is a chemical compound with molecular formula C27H36O4 and molecular weight 424.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate
Also Known As: Dinordrin, Dinordrin I, Dinordrin I dipropanoate, [(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate, 2,17alpha-diethynyl-A-nor-5alpha-estrane-2beta,17beta-diol
| Molecular Formula | C27H36O4 |
|---|---|
| Molecular Weight | 424.26 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.26135 |
| Heavy Atoms | 31 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 64675-08-7 |
|---|---|
| SMILES | CCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3C[C@](C4)(C#C)OC(=O)CC)C)C#C |
| InChIKey | JJKGZDJEKZMGTD-QVNHYCNFSA-N |
Product Overview
Dinordrin (CAS 64675-08-7), with molecular formula C27H36O4 and molecular weight 424.26 g/mol. IUPAC: [(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate.
Chemical Property Profile of Dinordrin
Property Insights of Dinordrin
The XLogP value of 5.3 indicates that Dinordrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dinordrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dinordrin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinordrin?
The CAS number of Dinordrin is 64675-08-7.
What is the molecular formula of Dinordrin?
The molecular formula of Dinordrin is C27H36O4.
What is the molecular weight of Dinordrin?
The molecular weight of Dinordrin is 424.26 g/mol.
Where can I buy Dinordrin?
You can request a quote for Dinordrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinordrin?
Yes, KEHONG BIO provides custom synthesis services for Dinordrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.