8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
TL;DR: 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one (CAS 109947-25-3) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylidenecyclohex-2-en-1-one
Also Known As: Dsco/*bi, 8,25-(OH)2-3-Oxoneo-D3, 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one, 3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylidenecyclohex-2-en-1-one, 9,10-Secocholesta-4,6,10(19)-trien-3-one, 8,25-dihydroxy-, (8alpha)-
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.9129 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 724.88043 |
Chemical Identifiers
| CAS Number | 109947-25-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@]2(/C=C/C3=CC(=O)CCC3=C)O)C |
Product Overview
8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one (CAS 109947-25-3), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: 3-[(E)-2-[(1R,3aR,4R,7aR)-4-hydroxy-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylidenecyclohex-2-en-1-one.
Chemical Property Profile of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
Property Insights of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
The XLogP value of 5.9129 indicates that 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-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 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one?
The CAS number of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one is 109947-25-3.
What is the molecular formula of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one?
The molecular formula of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one is C27H42O3.
What is the molecular weight of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one?
The molecular weight of 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one is 414.31 g/mol.
Where can I buy 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one?
You can request a quote for 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8,25-Dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.