Obscurolide A4
TL;DR: Obscurolide A4 (CAS 144398-02-7) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 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-(methoxymethyl)anilino]oxolan-2-one
Also Known As: Obscurolide A4, 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]oxolan-2-one, 5-((E)-3-hydroxybut-1-enyl)-4-(4-(methoxymethyl)anilino)oxolan-2-one, (E)-4,7-Dihydroxy-3-[4-(methoxymethyl)anilino]-5-octenoic acid 1,4-lactone, 2(3H)-Furanone, dihydro-5-(3-hydroxy-1-butenyl)-4-((4-(methoxymethyl)phenyl)amino)-
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 1.866 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 495.50336 |
Chemical Identifiers
| CAS Number | 144398-02-7 |
|---|---|
| SMILES | CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)COC)O |
Product Overview
Obscurolide A4 (CAS 144398-02-7), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]oxolan-2-one.
Chemical Property Profile of Obscurolide A4
Property Insights of Obscurolide A4
The XLogP value of 1.866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obscurolide A4. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Obscurolide A4. Following Lipinski's Rule of Five, Obscurolide A4 has 2 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 A4?
The CAS number of Obscurolide A4 is 144398-02-7.
What is the molecular formula of Obscurolide A4?
The molecular formula of Obscurolide A4 is C16H21NO4.
What is the molecular weight of Obscurolide A4?
The molecular weight of Obscurolide A4 is 291.15 g/mol.
Where can I buy Obscurolide A4?
You can request a quote for Obscurolide A4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obscurolide A4?
Yes, KEHONG BIO provides custom synthesis services for Obscurolide A4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.