atomaric acid
TL;DR: atomaric acid (CAS 6342-48-9) is a chemical compound with molecular formula C28H42O4 and molecular weight 442.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
Also Known As: atomaric acid, 3-[(1s,4ar,5s,6s,8ar)-5-(2-hydroxy-5-methoxy-3-methylbenzyl)-5,6,8a-trimethyl-2-(propan-2-ylidene)decahydronaphthalen-1-yl]propanoic acid, 3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid, (1S,4abeta)-2-Isopropylidene-5beta-(2-hydroxy-3-methyl-5-methoxybenzyl)-5,6beta,8aalpha-trimethyldecahydronaphthalene-1-propionic acid, (1S,4abeta)-Decahydro-5beta-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6beta,8aalpha-trimethyl-2-(1-methylethylidene)-1-naphthalenepropionic acid
| Molecular Formula | C28H42O4 |
|---|---|
| Molecular Weight | 442.31 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.30832 |
| Heavy Atoms | 32 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 6342-48-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@@H]([C@@]1(C)CC3=C(C(=CC(=C3)OC)C)O)CCC(=C(C)C)[C@H]2CCC(=O)O)C |
| InChIKey | OZFVNSYPXRUABC-ABYCQCASSA-N |
Product Overview
atomaric acid (CAS 6342-48-9), with molecular formula C28H42O4 and molecular weight 442.31 g/mol. IUPAC: 3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid.
Chemical Property Profile of atomaric acid
Property Insights of atomaric acid
The XLogP value of 7.2 indicates that atomaric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for atomaric acid. Following Lipinski's Rule of Five, atomaric acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of atomaric acid?
The CAS number of atomaric acid is 6342-48-9.
What is the molecular formula of atomaric acid?
The molecular formula of atomaric acid is C28H42O4.
What is the molecular weight of atomaric acid?
The molecular weight of atomaric acid is 442.31 g/mol.
Where can I buy atomaric acid?
You can request a quote for atomaric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for atomaric acid?
Yes, KEHONG BIO provides custom synthesis services for atomaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.