alpha-Amyrenone
TL;DR: alpha-Amyrenone (CAS 638-96-0) is a chemical compound with molecular formula C30H48O and molecular weight 424.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Also Known As: alpha-Amyrenone, Urs-12-en-3-one, .alpha.-Amyrenone, (9xi)-urs-12-en-3-one, (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
| Molecular Formula | C30H48O |
|---|---|
| Molecular Weight | 424.37 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 424.3705 |
| Heavy Atoms | 31 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 638-96-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C |
| InChIKey | DIFWJJFSELKWGA-ULFFALGTSA-N |
Product Overview
alpha-Amyrenone (CAS 638-96-0), with molecular formula C30H48O and molecular weight 424.37 g/mol. IUPAC: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one.
Chemical Property Profile of alpha-Amyrenone
Property Insights of alpha-Amyrenone
The XLogP value of 8.7 indicates that alpha-Amyrenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, alpha-Amyrenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Amyrenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Amyrenone?
The CAS number of alpha-Amyrenone is 638-96-0.
What is the molecular formula of alpha-Amyrenone?
The molecular formula of alpha-Amyrenone is C30H48O.
What is the molecular weight of alpha-Amyrenone?
The molecular weight of alpha-Amyrenone is 424.37 g/mol.
Where can I buy alpha-Amyrenone?
You can request a quote for alpha-Amyrenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amyrenone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amyrenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.