3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
TL;DR: 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (CAS 106146-69-4) is a chemical compound with molecular formula C26H34O and molecular weight 362.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8S,9S,10R,13S,14S,17S)-3-cyclopenta-2,4-dien-1-ylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one, J1.496.209C, 3-(2,4-Cyclopentadienylidene)pregna-4-ene-20-one, 3-(2,4-Cyclopentadiene-1-ylidene)pregna-4-ene-20-one, 3-(Cyclopenta-2,4-dien-1-ylidene)pregn-4-en-20-one
| Molecular Formula | C26H34O |
|---|---|
| Molecular Weight | 362.26 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 362.26096 |
| Heavy Atoms | 27 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 106146-69-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C5C=CC=C5)CC[C@]34C)C |
| InChIKey | GNDKEWBKRBOJSG-FBQZJRKBSA-N |
Product Overview
3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one (CAS 106146-69-4), with molecular formula C26H34O and molecular weight 362.26 g/mol. IUPAC: 1-[(8S,9S,10R,13S,14S,17S)-3-cyclopenta-2,4-dien-1-ylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
Property Insights of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one
The XLogP value of 6.1 indicates that 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one?
The CAS number of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one is 106146-69-4.
What is the molecular formula of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one?
The molecular formula of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one is C26H34O.
What is the molecular weight of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one?
The molecular weight of 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one is 362.26 g/mol.
Where can I buy 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one?
You can request a quote for 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.