Cholesta-5,7-diene-1,3-diol
TL;DR: Cholesta-5,7-diene-1,3-diol (CAS 5426-93-7) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Also Known As: CDABD, Cholesta-5,7-diene-1alpha,3beta-diol, Cholesta-5,7-diene-1,3-diol, A-hydroxyprovitamin D3, cholest-5,7-diene-1
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 5426-93-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C |
| InChIKey | PJEIBQWLLDBCCO-FDUUVPPLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesta-5,7-diene-1,3-diol (CAS 5426-93-7), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (1S,3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol.
Chemical Property Profile of Cholesta-5,7-diene-1,3-diol
Property Insights of Cholesta-5,7-diene-1,3-diol
The XLogP value of 7.0 indicates that Cholesta-5,7-diene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Cholesta-5,7-diene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-5,7-diene-1,3-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholesta-5,7-diene-1,3-diol?
The CAS number of Cholesta-5,7-diene-1,3-diol is 5426-93-7.
What is the molecular formula of Cholesta-5,7-diene-1,3-diol?
The molecular formula of Cholesta-5,7-diene-1,3-diol is C27H44O2.
What is the molecular weight of Cholesta-5,7-diene-1,3-diol?
The molecular weight of Cholesta-5,7-diene-1,3-diol is 400.33 g/mol.
Where can I buy Cholesta-5,7-diene-1,3-diol?
You can request a quote for Cholesta-5,7-diene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-5,7-diene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-5,7-diene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.