3,5-Cyclopregn-20-yne-6,17-diol
TL;DR: 3,5-Cyclopregn-20-yne-6,17-diol (CAS 93981-08-9) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,7R,8R,10R,11S,14R,15S)-14-ethynyl-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane-8,14-diol
Also Known As: KST-1A9052, 3,5-Cyclopregn-20-yne-6,17-diol, (5, A,6, A,17
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 93981-08-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)C[C@H]([C@@]45[C@@]3(CCC4C5)C)O |
| InChIKey | WKAFEMWJRKMDQQ-GVTYJZSISA-N |
Product Overview
3,5-Cyclopregn-20-yne-6,17-diol (CAS 93981-08-9), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: (1S,2R,7R,8R,10R,11S,14R,15S)-14-ethynyl-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane-8,14-diol.
Chemical Property Profile of 3,5-Cyclopregn-20-yne-6,17-diol
Property Insights of 3,5-Cyclopregn-20-yne-6,17-diol
The XLogP value of 3.6 indicates that 3,5-Cyclopregn-20-yne-6,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-Cyclopregn-20-yne-6,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Cyclopregn-20-yne-6,17-diol 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 3,5-Cyclopregn-20-yne-6,17-diol?
The CAS number of 3,5-Cyclopregn-20-yne-6,17-diol is 93981-08-9.
What is the molecular formula of 3,5-Cyclopregn-20-yne-6,17-diol?
The molecular formula of 3,5-Cyclopregn-20-yne-6,17-diol is C21H30O2.
What is the molecular weight of 3,5-Cyclopregn-20-yne-6,17-diol?
The molecular weight of 3,5-Cyclopregn-20-yne-6,17-diol is 314.22 g/mol.
Where can I buy 3,5-Cyclopregn-20-yne-6,17-diol?
You can request a quote for 3,5-Cyclopregn-20-yne-6,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Cyclopregn-20-yne-6,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Cyclopregn-20-yne-6,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.