1 Alpha,25-dihydroxycholesterol
TL;DR: 1 Alpha,25-dihydroxycholesterol (CAS 5451-67-2) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Also Known As: 1alpha,25-Dihydroxycholesterol, A,25-dihydroxycholesterol, 1 Alpha,25-dihydroxycholesterol, 2-Methoxy-S-ethylthio-toluol, cholest-5-ene-1alpha,3beta,25-triol
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 5451-67-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C |
| InChIKey | WPCGHPRVQQXAMT-FDRPCONVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1 Alpha,25-dihydroxycholesterol (CAS 5451-67-2), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: (1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol.
Chemical Property Profile of 1 Alpha,25-dihydroxycholesterol
Property Insights of 1 Alpha,25-dihydroxycholesterol
The XLogP value of 5.8 indicates that 1 Alpha,25-dihydroxycholesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1 Alpha,25-dihydroxycholesterol. Following Lipinski's Rule of Five, 1 Alpha,25-dihydroxycholesterol has 3 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 1 Alpha,25-dihydroxycholesterol?
The CAS number of 1 Alpha,25-dihydroxycholesterol is 5451-67-2.
What is the molecular formula of 1 Alpha,25-dihydroxycholesterol?
The molecular formula of 1 Alpha,25-dihydroxycholesterol is C27H46O3.
What is the molecular weight of 1 Alpha,25-dihydroxycholesterol?
The molecular weight of 1 Alpha,25-dihydroxycholesterol is 418.34 g/mol.
Where can I buy 1 Alpha,25-dihydroxycholesterol?
You can request a quote for 1 Alpha,25-dihydroxycholesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1 Alpha,25-dihydroxycholesterol?
Yes, KEHONG BIO provides custom synthesis services for 1 Alpha,25-dihydroxycholesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.