Dehydroizoleucomizinic acid
TL;DR: Dehydroizoleucomizinic acid (CAS 23554-79-2) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid
Also Known As: Dehydroizoleucomizinic acid, (2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid, (S)-2-((R)-3,8-dimethyl-1-oxo-1,5,6,7-tetrahydroazulen-5-yl)propanoic acid
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 23554-79-2 |
|---|---|
| SMILES | CC1=C2C(=C[C@@H](CC1)[C@H](C)C(=O)O)C(=CC2=O)C |
| InChIKey | YRMFMPDLOYHGGH-WDEREUQCSA-N |
Product Overview
Dehydroizoleucomizinic acid (CAS 23554-79-2), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (2S)-2-[(5R)-3,8-dimethyl-1-oxo-6,7-dihydro-5H-azulen-5-yl]propanoic acid.
Chemical Property Profile of Dehydroizoleucomizinic acid
Property Insights of Dehydroizoleucomizinic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroizoleucomizinic acid. With a topological polar surface area (TPSA) of 54.4 Ų, Dehydroizoleucomizinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydroizoleucomizinic acid 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 Dehydroizoleucomizinic acid?
The CAS number of Dehydroizoleucomizinic acid is 23554-79-2.
What is the molecular formula of Dehydroizoleucomizinic acid?
The molecular formula of Dehydroizoleucomizinic acid is C15H18O3.
What is the molecular weight of Dehydroizoleucomizinic acid?
The molecular weight of Dehydroizoleucomizinic acid is 246.13 g/mol.
Where can I buy Dehydroizoleucomizinic acid?
You can request a quote for Dehydroizoleucomizinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroizoleucomizinic acid?
Yes, KEHONG BIO provides custom synthesis services for Dehydroizoleucomizinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.