3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione
TL;DR: 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione (CAS 135949-48-3) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-yl)-4-hydroxypent-3-en-2-one
Also Known As: 3-(1,3-benzoxazol-2-yl)-4-hydroxypent-3-en-2-one, 3-(2,3-dihydro-1,3-benzoxazol-2-ylidene)pentane-2,4-dione, 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione, 3-[1,3-benzoxazol-2(3H)-yliden]-2,4-pentanedione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 135949-48-3 |
|---|---|
| SMILES | CC(=C(C1=NC2=CC=CC=C2O1)C(=O)C)O |
| InChIKey | AJKUQWZVOMPHEO-UHFFFAOYSA-N |
Product Overview
3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione (CAS 135949-48-3), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 3-(1,3-benzoxazol-2-yl)-4-hydroxypent-3-en-2-one.
Chemical Property Profile of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione
Property Insights of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione has 1 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 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione?
The CAS number of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione is 135949-48-3.
What is the molecular formula of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione?
The molecular formula of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione is C12H11NO3.
What is the molecular weight of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione?
The molecular weight of 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione is 217.07 g/mol.
Where can I buy 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione?
You can request a quote for 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3H-1,3-benzoxazol-2-ylidene)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.