Dinordrin I diacetate
TL;DR: Dinordrin I diacetate (CAS 70226-89-0) is a chemical compound with molecular formula C25H32O4 and molecular weight 396.23 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-acetyloxy-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate
Also Known As: Dinordrin I diacetate, 70226-89-0 (diacetate), [(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2-acetyloxy-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate, (2-beta,5-alpha,17-alpha)-2-Ethynyl-A,19-dinorpregn-20-yne-2,17-diol diacetate, A,19-Dinorpregn-20-yne-2,17-diol, 2-ethynyl-, diacetate, (2-beta,5-alpha,17-alpha)-
| Molecular Formula | C25H32O4 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 4.1191 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.23007 |
| Heavy Atoms | 29 |
| Complexity | 802.62146 |
Chemical Identifiers
| CAS Number | 70226-89-0 |
|---|---|
| SMILES | CC(=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)C)C)C#C |
Product Overview
Dinordrin I diacetate (CAS 70226-89-0), with molecular formula C25H32O4 and molecular weight 396.23 g/mol. IUPAC: [(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2-acetyloxy-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate.
Chemical Property Profile of Dinordrin I diacetate
Property Insights of Dinordrin I diacetate
The XLogP value of 4.1191 indicates that Dinordrin I diacetate 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 I diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dinordrin I diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinordrin I diacetate?
The CAS number of Dinordrin I diacetate is 70226-89-0.
What is the molecular formula of Dinordrin I diacetate?
The molecular formula of Dinordrin I diacetate is C25H32O4.
What is the molecular weight of Dinordrin I diacetate?
The molecular weight of Dinordrin I diacetate is 396.23 g/mol.
Where can I buy Dinordrin I diacetate?
You can request a quote for Dinordrin I diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinordrin I diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dinordrin I diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.