3-Propylidenephthalide, (3Z)-
TL;DR: 3-Propylidenephthalide, (3Z)- (CAS 94704-89-9) 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.
(3Z)-3-propylidene-2-benzofuran-1-one
Also Known As: 3-PROPYLIDENEPHTHALIDE, 3-Propylideneisobenzofuran-1(3H)-one, Propylidene phthalide, Propylidenephthalide, 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 | 94704-89-9 |
|---|---|
| SMILES | CC/C=C\1/C2=CC=CC=C2C(=O)O1 |
Product Overview
3-Propylidenephthalide, (3Z)- (CAS 94704-89-9), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: (3Z)-3-propylidene-2-benzofuran-1-one.
Chemical Property Profile of 3-Propylidenephthalide, (3Z)-
Property Insights of 3-Propylidenephthalide, (3Z)-
The XLogP value of 2.6079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Propylidenephthalide, (3Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Propylidenephthalide, (3Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Propylidenephthalide, (3Z)- 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-Propylidenephthalide, (3Z)-?
The CAS number of 3-Propylidenephthalide, (3Z)- is 94704-89-9.
What is the molecular formula of 3-Propylidenephthalide, (3Z)-?
The molecular formula of 3-Propylidenephthalide, (3Z)- is C11H10O2.
What is the molecular weight of 3-Propylidenephthalide, (3Z)-?
The molecular weight of 3-Propylidenephthalide, (3Z)- is 174.07 g/mol.
Where can I buy 3-Propylidenephthalide, (3Z)-?
You can request a quote for 3-Propylidenephthalide, (3Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Propylidenephthalide, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Propylidenephthalide, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.