21,21-Dichloropregnenolone
TL;DR: 21,21-Dichloropregnenolone (CAS 117038-60-5) is a chemical compound with molecular formula C21H30Cl2O2 and molecular weight 384.1623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 21,21-Dichloropregnenolone, 21,21-Dcpn, Pregn-5-en-20-one, 21,21-dichloro-3-hydroxy-, 21,21-Dichloro-3-hydroxypregn-5-en-20-one, 21,21-Dichloro-3beta-hydroxypregn-5-en-20-one
Technical Specifications
| Molecular Formula | C21H30Cl2O2 |
| Molecular Weight | 384.1623 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.1623 Da |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(Cl)Cl)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| InChIKey | NKTSEDXFEYAMFC-OSQVXGLNSA-N |
Chemical Property Profile of 21,21-Dichloropregnenolone
Property Insights of 21,21-Dichloropregnenolone
The XLogP value of 5.6 indicates that 21,21-Dichloropregnenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 21,21-Dichloropregnenolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21,21-Dichloropregnenolone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 21,21-Dichloropregnenolone?
The CAS number of 21,21-Dichloropregnenolone is 117038-60-5.
What is the molecular formula of 21,21-Dichloropregnenolone?
The molecular formula of 21,21-Dichloropregnenolone is C21H30Cl2O2.
What is the molecular weight of 21,21-Dichloropregnenolone?
The molecular weight of 21,21-Dichloropregnenolone is 384.1623 g/mol.
Where can I buy 21,21-Dichloropregnenolone?
You can request a quote for 21,21-Dichloropregnenolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 21,21-Dichloropregnenolone?
Yes, CoreyChem provides custom synthesis services for 21,21-Dichloropregnenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.