Obscurolide A3
TL;DR: Obscurolide A3 (CAS 144398-01-6) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-hydroxybut-1-enyl]-4-[4-(hydroxymethyl)anilino]oxolan-2-one
Also Known As: Obscurolide A3, Tetronic acid deriv., 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(hydroxymethyl)anilino]oxolan-2-one, 5-((E)-3-hydroxybut-1-enyl)-4-(4-(hydroxymethyl)anilino)oxolan-2-one, (E)-4,7-Dihydroxy-3-[4-(hydroxymethyl)anilino]-5-octenoic acid 1,4-lactone
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.2119 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 481.15182 |
Chemical Identifiers
| CAS Number | 144398-01-6 |
|---|---|
| SMILES | CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)CO)O |
Product Overview
Obscurolide A3 (CAS 144398-01-6), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(hydroxymethyl)anilino]oxolan-2-one.
Chemical Property Profile of Obscurolide A3
Property Insights of Obscurolide A3
The XLogP value of 1.2119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obscurolide A3. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Obscurolide A3. Following Lipinski's Rule of Five, Obscurolide A3 has 3 hydrogen bond donor(s) and 5 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 Obscurolide A3?
The CAS number of Obscurolide A3 is 144398-01-6.
What is the molecular formula of Obscurolide A3?
The molecular formula of Obscurolide A3 is C15H19NO4.
What is the molecular weight of Obscurolide A3?
The molecular weight of Obscurolide A3 is 277.13 g/mol.
Where can I buy Obscurolide A3?
You can request a quote for Obscurolide A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obscurolide A3?
Yes, KEHONG BIO provides custom synthesis services for Obscurolide A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.