17-alpha-Allylestr-4-en-17-beta-ol
TL;DR: 17-alpha-Allylestr-4-en-17-beta-ol (CAS 47038-50-6) is a chemical compound with molecular formula C21H32O and molecular weight 300.24533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Also Known As: allylestrenol, KST-1A4938, 17-alpha-Allylestr-4-en-17-beta-ol, (17, A)-17-(prop-2-en-1-yl)estr-4-en-17-ol
Technical Specifications
| Molecular Formula | C21H32O |
| Molecular Weight | 300.24533 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.24533 Da |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
| SMILES | CC12CCC3C(C1CC[C@]2(CC=C)O)CCC4=CCCCC34 |
| InChIKey | ATXHVCQZZJYMCF-KQMXEUTGSA-N |
Chemical Property Profile of 17-alpha-Allylestr-4-en-17-beta-ol
Property Insights of 17-alpha-Allylestr-4-en-17-beta-ol
The XLogP value of 5.3 indicates that 17-alpha-Allylestr-4-en-17-beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 17-alpha-Allylestr-4-en-17-beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-alpha-Allylestr-4-en-17-beta-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 17-alpha-Allylestr-4-en-17-beta-ol?
The CAS number of 17-alpha-Allylestr-4-en-17-beta-ol is 47038-50-6.
What is the molecular formula of 17-alpha-Allylestr-4-en-17-beta-ol?
The molecular formula of 17-alpha-Allylestr-4-en-17-beta-ol is C21H32O.
What is the molecular weight of 17-alpha-Allylestr-4-en-17-beta-ol?
The molecular weight of 17-alpha-Allylestr-4-en-17-beta-ol is 300.24533 g/mol.
Where can I buy 17-alpha-Allylestr-4-en-17-beta-ol?
You can request a quote for 17-alpha-Allylestr-4-en-17-beta-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-alpha-Allylestr-4-en-17-beta-ol?
Yes, CoreyChem provides custom synthesis services for 17-alpha-Allylestr-4-en-17-beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.