(3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol
TL;DR: (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol (CAS 84985-78-4) is a chemical compound with molecular formula C28H46O3 and molecular weight 430.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
Also Known As: (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol, (1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4-[(1R,2Z)-1-hydroxy-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
| Molecular Formula | C28H46O3 |
|---|---|
| Molecular Weight | 430.34 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.3447 |
| Heavy Atoms | 31 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 84985-78-4 |
|---|---|
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2(C(C=C3CC(CCC3=C)O)O)O)C |
| InChIKey | KXILCRGOVVVVRF-UHFFFAOYSA-N |
Product Overview
(3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol (CAS 84985-78-4), with molecular formula C28H46O3 and molecular weight 430.34 g/mol. IUPAC: 1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol.
Chemical Property Profile of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol
Property Insights of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol
The XLogP value of 5.4 indicates that (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol 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 (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol. Following Lipinski's Rule of Five, (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol 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 (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol?
The CAS number of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol is 84985-78-4.
What is the molecular formula of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol?
The molecular formula of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol is C28H46O3.
What is the molecular weight of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol?
The molecular weight of (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol is 430.34 g/mol.
Where can I buy (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol?
You can request a quote for (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol?
Yes, KEHONG BIO provides custom synthesis services for (3b,5Z,7R,8a,22E)-9,10-Secoergosta-5,10(19),22-triene-3,7,8-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.