3-丙叉苯酞
TL;DR: 3-丙叉苯酞 (CAS 56014-72-3) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丙叉苯酞
(3E)-3-propylidene-2-benzofuran-1-one
Also Known As: Propylidenephthalide, 3-PROPYLIDENEPHTHALIDE, Propylidene phthalide, Isopropylidenephthalide, 3-Propylidene phthalide
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.6079 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 377.4316 |
Chemical Identifiers
| CAS Number | 56014-72-3 |
|---|---|
| SMILES | CC/C=C/1\C2=CC=CC=C2C(=O)O1 |
Product Overview
3-丙叉苯酞 (CAS 56014-72-3), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: (3E)-3-propylidene-2-benzofuran-1-one.
Chemical Property Profile of 3-丙叉苯酞
Property Insights of 3-丙叉苯酞
The XLogP value of 2.6079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丙叉苯酞. With a topological polar surface area (TPSA) of 26.3 Ų, 3-丙叉苯酞 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丙叉苯酞 has 0 hydrogen bond donor(s) and 2 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-丙叉苯酞?
The CAS number of 3-丙叉苯酞 is 56014-72-3.
What is the molecular formula of 3-丙叉苯酞?
The molecular formula of 3-丙叉苯酞 is C11H10O2.
What is the molecular weight of 3-丙叉苯酞?
The molecular weight of 3-丙叉苯酞 is 174.07 g/mol.
Where can I buy 3-丙叉苯酞?
You can request a quote for 3-丙叉苯酞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丙叉苯酞?
Yes, KEHONG BIO provides custom synthesis services for 3-丙叉苯酞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.