Dinordrin I (free alcohol)
TL;DR: Dinordrin I (free alcohol) (CAS 64675-09-8) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8aS)-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
Also Known As: Dinordrin I (free alcohol), (2-alpha,5-alpha,17-alpha)-2-Ethynyl-A,19-dinorpregn-20-yne-2,17-diol, A,19-Dinorpregn-20-yne-2,17-diol, 2-ethynyl-, (2-alpha,5-alpha,17-alpha)-, 1,7-Diethynyl-10a-methylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol, (1R,3aS)-1,7-Diethynyl-10a-methylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.21 g/mol |
| LogP | 2.9775 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 597.9433 |
Chemical Identifiers
| CAS Number | 64675-09-8 |
|---|---|
| SMILES | CC12CCC3C([C@@H]1CC[C@]2(C#C)O)CCC4C3CC(C4)(C#C)O |
Product Overview
Dinordrin I (free alcohol) (CAS 64675-09-8), with molecular formula C21H28O2 and molecular weight 312.21 g/mol. IUPAC: (6R,8aS)-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol.
Chemical Property Profile of Dinordrin I (free alcohol)
Property Insights of Dinordrin I (free alcohol)
The XLogP value of 2.9775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinordrin I (free alcohol). With a topological polar surface area (TPSA) of 40.46 Ų, Dinordrin I (free alcohol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dinordrin I (free alcohol) has 2 hydrogen bond donor(s) and 2 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 (free alcohol)?
The CAS number of Dinordrin I (free alcohol) is 64675-09-8.
What is the molecular formula of Dinordrin I (free alcohol)?
The molecular formula of Dinordrin I (free alcohol) is C21H28O2.
What is the molecular weight of Dinordrin I (free alcohol)?
The molecular weight of Dinordrin I (free alcohol) is 312.21 g/mol.
Where can I buy Dinordrin I (free alcohol)?
You can request a quote for Dinordrin I (free alcohol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinordrin I (free alcohol)?
Yes, KEHONG BIO provides custom synthesis services for Dinordrin I (free alcohol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.