Rehmannic acid
TL;DR: Rehmannic acid (CAS 467-81-2) is a chemical compound with molecular formula C35H52O5 and molecular weight 552.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Also Known As: Rehmannic acid
| Molecular Formula | C35H52O5 |
|---|---|
| Molecular Weight | 552.38 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 552.3815 |
| Heavy Atoms | 40 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 467-81-2 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C |
| InChIKey | KCLIRHUTOPOHKJ-QQAPFUPGSA-N |
Product Overview
Rehmannic acid (CAS 467-81-2), with molecular formula C35H52O5 and molecular weight 552.38 g/mol. IUPAC: (4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(2-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of Rehmannic acid
Property Insights of Rehmannic acid
The XLogP value of 7.8 indicates that Rehmannic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rehmannic acid. Following Lipinski's Rule of Five, Rehmannic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rehmannic acid?
The CAS number of Rehmannic acid is 467-81-2.
What is the molecular formula of Rehmannic acid?
The molecular formula of Rehmannic acid is C35H52O5.
What is the molecular weight of Rehmannic acid?
The molecular weight of Rehmannic acid is 552.38 g/mol.
Where can I buy Rehmannic acid?
You can request a quote for Rehmannic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rehmannic acid?
Yes, KEHONG BIO provides custom synthesis services for Rehmannic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.