Dehydroogoniol
TL;DR: Dehydroogoniol (CAS 82251-59-0) is a chemical compound with molecular formula C29H46O5 and molecular weight 474.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-17-[(E,2R)-7-hydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Also Known As: Dehydrooogoniol, Dehydroogoniol, dehydro-oogoniol, 3,11,15,29-Tetrahydroxystigmasta-5,24(28)-dien-7-one, (3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-17-[(E,2R)-7-hydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
| Molecular Formula | C29H46O5 |
|---|---|
| Molecular Weight | 474.33 g/mol |
| LogP | 4.0379 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.33453 |
| Heavy Atoms | 34 |
| Complexity | 845.45905 |
Chemical Identifiers
| CAS Number | 82251-59-0 |
|---|---|
| SMILES | C[C@H](CC/C(=C\CO)/C(C)C)[C@H]1C[C@H]([C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O |
Product Overview
Dehydroogoniol (CAS 82251-59-0), with molecular formula C29H46O5 and molecular weight 474.33 g/mol. IUPAC: (3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-17-[(E,2R)-7-hydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one.
Chemical Property Profile of Dehydroogoniol
Property Insights of Dehydroogoniol
The XLogP value of 4.0379 indicates that Dehydroogoniol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroogoniol. Following Lipinski's Rule of Five, Dehydroogoniol has 4 hydrogen bond donor(s) and 5 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 Dehydroogoniol?
The CAS number of Dehydroogoniol is 82251-59-0.
What is the molecular formula of Dehydroogoniol?
The molecular formula of Dehydroogoniol is C29H46O5.
What is the molecular weight of Dehydroogoniol?
The molecular weight of Dehydroogoniol is 474.33 g/mol.
Where can I buy Dehydroogoniol?
You can request a quote for Dehydroogoniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroogoniol?
Yes, KEHONG BIO provides custom synthesis services for Dehydroogoniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.