(2-Oxochromen-7-yl) butanoate
TL;DR: (2-Oxochromen-7-yl) butanoate (CAS 36323-82-7) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) butanoate
Also Known As: (2-oxochromen-7-yl) butanoate, BAS 00914127, Butyric acid 2-oxo-2H-chromen-7-yl ester, 7-(propylcarbonyl)oxy-2H-1-benzopyran-2-one
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 36323-82-7 |
|---|---|
| SMILES | CCCC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | KFOVMGGHBPBPSZ-UHFFFAOYSA-N |
Product Overview
(2-Oxochromen-7-yl) butanoate (CAS 36323-82-7), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: (2-oxochromen-7-yl) butanoate.
Chemical Property Profile of (2-Oxochromen-7-yl) butanoate
Property Insights of (2-Oxochromen-7-yl) butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxochromen-7-yl) butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, (2-Oxochromen-7-yl) butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxochromen-7-yl) butanoate has 0 hydrogen bond donor(s) and 4 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 (2-Oxochromen-7-yl) butanoate?
The CAS number of (2-Oxochromen-7-yl) butanoate is 36323-82-7.
What is the molecular formula of (2-Oxochromen-7-yl) butanoate?
The molecular formula of (2-Oxochromen-7-yl) butanoate is C13H12O4.
What is the molecular weight of (2-Oxochromen-7-yl) butanoate?
The molecular weight of (2-Oxochromen-7-yl) butanoate is 232.07 g/mol.
Where can I buy (2-Oxochromen-7-yl) butanoate?
You can request a quote for (2-Oxochromen-7-yl) butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxochromen-7-yl) butanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxochromen-7-yl) butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.