曼陀罗萜二醇
TL;DR: 曼陀罗萜二醇 (CAS 41498-79-7) 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.
曼陀罗萜二醇
(3S,4aR,5R,6aR,6bS,8aR,12aR,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-3,5-diol
Also Known As: Daturadiol, 12-Oleanene-3,6-diol, olean-12-ene-3beta,6beta-diol, 6beta-hydroxy-beta-amyrin, Olean-12-Ene-3b,6b-Diol
| 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 | 41498-79-7 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]1CC(CC2)(C)C)C |
Product Overview
曼陀罗萜二醇 (CAS 41498-79-7), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (3S,4aR,5R,6aR,6bS,8aR,12aR,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-3,5-diol.
Chemical Property Profile of 曼陀罗萜二醇
Property Insights of 曼陀罗萜二醇
The XLogP value of 7.1397 indicates that 曼陀罗萜二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 曼陀罗萜二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曼陀罗萜二醇 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 曼陀罗萜二醇?
The CAS number of 曼陀罗萜二醇 is 41498-79-7.
What is the molecular formula of 曼陀罗萜二醇?
The molecular formula of 曼陀罗萜二醇 is C30H50O2.
What is the molecular weight of 曼陀罗萜二醇?
The molecular weight of 曼陀罗萜二醇 is 442.38 g/mol.
Where can I buy 曼陀罗萜二醇?
You can request a quote for 曼陀罗萜二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曼陀罗萜二醇?
Yes, KEHONG BIO provides custom synthesis services for 曼陀罗萜二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.