20,22-Dihydroxycholest-4-en-3-one
TL;DR: 20,22-Dihydroxycholest-4-en-3-one (CAS 94415-61-9) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 20,22-Dihydroxycholest-4-en-3-one, (22R)-20,22-Dihydroxycholest-4-en-3-one, (20R,22R)-20,22-Dihydroxycholest-4-en-3-one, (8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, (1S,3aS,3bS,9aR,9bS,11aS)-1-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 94415-61-9 |
|---|---|
| SMILES | CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O |
| InChIKey | DCHUFDLUIZXFQS-ITWQDKSZSA-N |
Product Overview
20,22-Dihydroxycholest-4-en-3-one (CAS 94415-61-9), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 20,22-Dihydroxycholest-4-en-3-one
Property Insights of 20,22-Dihydroxycholest-4-en-3-one
The XLogP value of 5.6 indicates that 20,22-Dihydroxycholest-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 20,22-Dihydroxycholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 20,22-Dihydroxycholest-4-en-3-one has 2 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 20,22-Dihydroxycholest-4-en-3-one?
The CAS number of 20,22-Dihydroxycholest-4-en-3-one is 94415-61-9.
What is the molecular formula of 20,22-Dihydroxycholest-4-en-3-one?
The molecular formula of 20,22-Dihydroxycholest-4-en-3-one is C27H44O3.
What is the molecular weight of 20,22-Dihydroxycholest-4-en-3-one?
The molecular weight of 20,22-Dihydroxycholest-4-en-3-one is 416.33 g/mol.
Where can I buy 20,22-Dihydroxycholest-4-en-3-one?
You can request a quote for 20,22-Dihydroxycholest-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20,22-Dihydroxycholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 20,22-Dihydroxycholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.