3,4-Secoallofriedelonic acid
TL;DR: 3,4-Secoallofriedelonic acid (CAS 7506-17-4) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoic acid
Also Known As: 3,4-Secoallofriedelonic acid, SECOFRIEDELONIC ACID, 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8, 3-(2-Acetyl-2,4b,6a,9,9,10b,12a-heptamethyloctadecahydrochrysen-1-yl)propanoic acid, 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoic acid
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 7506-17-4 |
|---|---|
| SMILES | CC(=O)C1(CCC2C(C1CCC(=O)O)(CCC3(C2(CCC4(C3CC(CC4)(C)C)C)C)C)C)C |
| InChIKey | XPQHBSJTCFLKRX-UHFFFAOYSA-N |
Product Overview
3,4-Secoallofriedelonic acid (CAS 7506-17-4), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: 3-(2-acetyl-2,4b,6a,9,9,10b,12a-heptamethyl-1,3,4,4a,5,6,7,8,10,10a,11,12-dodecahydrochrysen-1-yl)propanoic acid.
Chemical Property Profile of 3,4-Secoallofriedelonic acid
Property Insights of 3,4-Secoallofriedelonic acid
The XLogP value of 8.5 indicates that 3,4-Secoallofriedelonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3,4-Secoallofriedelonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Secoallofriedelonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Secoallofriedelonic acid?
The CAS number of 3,4-Secoallofriedelonic acid is 7506-17-4.
What is the molecular formula of 3,4-Secoallofriedelonic acid?
The molecular formula of 3,4-Secoallofriedelonic acid is C30H50O3.
What is the molecular weight of 3,4-Secoallofriedelonic acid?
The molecular weight of 3,4-Secoallofriedelonic acid is 458.38 g/mol.
Where can I buy 3,4-Secoallofriedelonic acid?
You can request a quote for 3,4-Secoallofriedelonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Secoallofriedelonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Secoallofriedelonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.