(+)-Erythrodiol
TL;DR: (+)-Erythrodiol (CAS 545-48-2) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
Also Known As: Erythrodiol, 3beta-Erythrodiol, 3b-Erythrodiol, Uvaol, oleanolic alcohol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 545-48-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O |
| InChIKey | PSZDOEIIIJFCFE-OSQDELBUSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Erythrodiol (CAS 545-48-2), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol.
Chemical Property Profile of (+)-Erythrodiol
Property Insights of (+)-Erythrodiol
The XLogP value of 7.6 indicates that (+)-Erythrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (+)-Erythrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Erythrodiol 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 (+)-Erythrodiol?
The CAS number of (+)-Erythrodiol is 545-48-2.
What is the molecular formula of (+)-Erythrodiol?
The molecular formula of (+)-Erythrodiol is C30H50O2.
What is the molecular weight of (+)-Erythrodiol?
The molecular weight of (+)-Erythrodiol is 442.38 g/mol.
Where can I buy (+)-Erythrodiol?
You can request a quote for (+)-Erythrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Erythrodiol?
Yes, KEHONG BIO provides custom synthesis services for (+)-Erythrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.