(22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one
TL;DR: (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one (CAS 3514-26-9) is a chemical compound with molecular formula C27H40O4 and molecular weight 428.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
Also Known As: 9-Dehydrohecogenin, (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one, (3beta,5alpha,22xi,25R)-3-Hydroxyspirost-9(11)-en-12-one
| Molecular Formula | C27H40O4 |
|---|---|
| Molecular Weight | 428.29 g/mol |
| LogP | 4.8929 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 428.29266 |
| Heavy Atoms | 31 |
| Complexity | 810.0541 |
Chemical Identifiers
| CAS Number | 3514-26-9 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C=C5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1 |
Product Overview
(22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one (CAS 3514-26-9), with molecular formula C27H40O4 and molecular weight 428.29 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one.
Chemical Property Profile of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one
Property Insights of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one
The XLogP value of 4.8929 indicates that (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one?
The CAS number of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one is 3514-26-9.
What is the molecular formula of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one?
The molecular formula of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one is C27H40O4.
What is the molecular weight of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one?
The molecular weight of (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one is 428.29 g/mol.
Where can I buy (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one?
You can request a quote for (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one?
Yes, KEHONG BIO provides custom synthesis services for (22xi,25R)-3beta-Hydroxy-5alpha-spirost-9(11)-en-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.