Sophoradiol
TL;DR: Sophoradiol (CAS 6822-47-5) 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,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
Also Known As: Sophoradiol, olean-12-ene-3beta,22beta-diol, (3beta,22beta)-olean-12-ene-3,22-diol, Olean-12-ene-3.beta.,22.beta.-diol, Olean-12-ene-3,22-diol, (3beta,22beta)-
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 7.1397 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 824.68823 |
Chemical Identifiers
| CAS Number | 6822-47-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)C)O |
Product Overview
Sophoradiol (CAS 6822-47-5), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol.
Chemical Property Profile of Sophoradiol
Property Insights of Sophoradiol
The XLogP value of 7.1397 indicates that Sophoradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Sophoradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sophoradiol 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 Sophoradiol?
The CAS number of Sophoradiol is 6822-47-5.
What is the molecular formula of Sophoradiol?
The molecular formula of Sophoradiol is C30H50O2.
What is the molecular weight of Sophoradiol?
The molecular weight of Sophoradiol is 442.38 g/mol.
Where can I buy Sophoradiol?
You can request a quote for Sophoradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sophoradiol?
Yes, KEHONG BIO provides custom synthesis services for Sophoradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.