Isoadiantone
TL;DR: Isoadiantone (CAS 54352-47-5) is a chemical compound with molecular formula C29H48O and molecular weight 412.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone
Also Known As: Isoadiantone, (+)-Isoadiantone, A'-Neo-30-norgammaceran-22-one, (21-beta)-, (21beta)-30-Nor-A -neogammaceran-22-one, 1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone
| Molecular Formula | C29H48O |
|---|---|
| Molecular Weight | 412.37 g/mol |
| LogP | 8.0669 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.3705 |
| Heavy Atoms | 30 |
| Complexity | 736.6456 |
Chemical Identifiers
| CAS Number | 54352-47-5 |
|---|---|
| SMILES | CC(=O)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C |
Product Overview
Isoadiantone (CAS 54352-47-5), with molecular formula C29H48O and molecular weight 412.37 g/mol. IUPAC: 1-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]ethanone.
Chemical Property Profile of Isoadiantone
Property Insights of Isoadiantone
The XLogP value of 8.0669 indicates that Isoadiantone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Isoadiantone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoadiantone 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 Isoadiantone?
The CAS number of Isoadiantone is 54352-47-5.
What is the molecular formula of Isoadiantone?
The molecular formula of Isoadiantone is C29H48O.
What is the molecular weight of Isoadiantone?
The molecular weight of Isoadiantone is 412.37 g/mol.
Where can I buy Isoadiantone?
You can request a quote for Isoadiantone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoadiantone?
Yes, KEHONG BIO provides custom synthesis services for Isoadiantone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.