异鲁佩斯酮酸
TL;DR: 异鲁佩斯酮酸 (CAS 139953-21-2) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异鲁佩斯酮酸
2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
Also Known As: Isorupestonic acid, 2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic Acid, 5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-8-methyl-alpha-methylene-2-oxo-, (5R-(5alpha,8alpha,8aalpha))-, 2-[(5R,8S,8aR)-8-Methyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid, RefChem:149942
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 139953-21-2 |
|---|---|
| SMILES | C[C@H]1CC[C@H](CC2=CC(=O)C[C@H]12)C(=C)C(=O)O |
| InChIKey | DQHZYBAJZKMYQB-IYYTYJHQSA-N |
Product Overview
异鲁佩斯酮酸 (CAS 139953-21-2), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 2-[(5R,8S,8aR)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid.
Chemical Property Profile of 异鲁佩斯酮酸
Property Insights of 异鲁佩斯酮酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异鲁佩斯酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, 异鲁佩斯酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异鲁佩斯酮酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异鲁佩斯酮酸?
The CAS number of 异鲁佩斯酮酸 is 139953-21-2.
What is the molecular formula of 异鲁佩斯酮酸?
The molecular formula of 异鲁佩斯酮酸 is C14H18O3.
What is the molecular weight of 异鲁佩斯酮酸?
The molecular weight of 异鲁佩斯酮酸 is 234.13 g/mol.
Where can I buy 异鲁佩斯酮酸?
You can request a quote for 异鲁佩斯酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异鲁佩斯酮酸?
Yes, KEHONG BIO provides custom synthesis services for 异鲁佩斯酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.