3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate
TL;DR: 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate (CAS 67462-34-4) is a chemical compound with molecular formula C25H37IO6 and molecular weight 560.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Also Known As: 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate, 5-beta,14-beta,17-alpha-Pregnan-20-one, 3-beta,14,21-trihydroxy-, 3-acetate, 21-iodoacetate, 3-(Acetyloxy)-14-hydroxy-20-oxopregnan-21-yl iodoacetate, 5-beta,14-beta,17-alpha-Pregnan-3-beta,14,21-triol, 20-oxo-, 3-acetate, 21-iodoacetate, (14beta,17R)-3beta,14,21-Trihydroxy-5beta-pregnan-20-one 3-acetate 21-iodoacetate
| Molecular Formula | C25H37IO6 |
|---|---|
| Molecular Weight | 560.16 g/mol |
| LogP | 4.2392 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.1635 |
| Heavy Atoms | 32 |
| Complexity | 784.3938 |
Chemical Identifiers
| CAS Number | 67462-34-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CI)O)C)C |
Product Overview
3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate (CAS 67462-34-4), with molecular formula C25H37IO6 and molecular weight 560.16 g/mol. IUPAC: [2-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate.
Chemical Property Profile of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate
Property Insights of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate
The XLogP value of 4.2392 indicates that 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate. Following Lipinski's Rule of Five, 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate?
The CAS number of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate is 67462-34-4.
What is the molecular formula of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate?
The molecular formula of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate is C25H37IO6.
What is the molecular weight of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate?
The molecular weight of 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate is 560.16 g/mol.
Where can I buy 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate?
You can request a quote for 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,14,21-Trihydroxy-5-beta,14-beta-pregnan-20-one 3-acetate 21-iodoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.