曼陀罗萜醇酮
TL;DR: 曼陀罗萜醇酮 (CAS 41498-80-0) is a chemical compound with molecular formula C30H48O2 and molecular weight 440.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曼陀罗萜醇酮
(4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Also Known As: Daturaolone, A-hydroxyolean-12-en-3-one, 6beta-Hydroxyolean-12-en-3-one, 6.beta.-Hydroxyolean-12-en-3-one, NCI60_037648
| Molecular Formula | C30H48O2 |
|---|---|
| Molecular Weight | 440.37 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 440.36542 |
| Heavy Atoms | 32 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 41498-80-0 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)[C@@H]1CC(CC2)(C)C)C |
| InChIKey | YCTXVPCDHZMBHX-QCDSSADQSA-N |
Product Overview
曼陀罗萜醇酮 (CAS 41498-80-0), with molecular formula C30H48O2 and molecular weight 440.37 g/mol. IUPAC: (4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one.
Chemical Property Profile of 曼陀罗萜醇酮
Property Insights of 曼陀罗萜醇酮
The XLogP value of 7.5 indicates that 曼陀罗萜醇酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 曼陀罗萜醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 曼陀罗萜醇酮 has 1 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 曼陀罗萜醇酮?
The CAS number of 曼陀罗萜醇酮 is 41498-80-0.
What is the molecular formula of 曼陀罗萜醇酮?
The molecular formula of 曼陀罗萜醇酮 is C30H48O2.
What is the molecular weight of 曼陀罗萜醇酮?
The molecular weight of 曼陀罗萜醇酮 is 440.37 g/mol.
Where can I buy 曼陀罗萜醇酮?
You can request a quote for 曼陀罗萜醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曼陀罗萜醇酮?
Yes, KEHONG BIO provides custom synthesis services for 曼陀罗萜醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.