17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate
TL;DR: 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate (CAS 6641-35-6) is a chemical compound with molecular formula C27H33NO2 and molecular weight 403.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate
Also Known As: Sid 769030, KST-1A7319, 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate, Pregn-2-en-20-yn-17-yl pyridine-3-carboxylate, (5
| Molecular Formula | C27H33NO2 |
|---|---|
| Molecular Weight | 403.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.25113 |
| Heavy Atoms | 30 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 6641-35-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)OC(=O)C4=CN=CC=C4)CC[C@@H]5[C@@]3(CC=CC5)C |
| InChIKey | NEQYIOAQPFJWQX-HNMCLFPFSA-N |
Product Overview
17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate (CAS 6641-35-6), with molecular formula C27H33NO2 and molecular weight 403.25 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] pyridine-3-carboxylate.
Chemical Property Profile of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate
Property Insights of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate
The XLogP value of 6.2 indicates that 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate?
The CAS number of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate is 6641-35-6.
What is the molecular formula of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate?
The molecular formula of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate is C27H33NO2.
What is the molecular weight of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate?
The molecular weight of 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate is 403.25 g/mol.
Where can I buy 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate?
You can request a quote for 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 17-Ethynyl-(5a)-androst-2-ene-17-ol-17-nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.