(Z)-Butylidenephthalide
TL;DR: (Z)-Butylidenephthalide (CAS 1795142-65-2) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-butylidene-2-benzofuran-1-one
Also Known As: 3-Butylidenephthalide, (Z)-Butylidenephthalide, Butylidenephthalide, n-butylidenephthalide, Ligusticum lactone
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 1795142-65-2 |
|---|---|
| SMILES | CCC/C=C\1/C2=CC=CC=C2C(=O)O1 |
| InChIKey | WMBOCUXXNSOQHM-FLIBITNWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Z)-Butylidenephthalide (CAS 1795142-65-2), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: (3Z)-3-butylidene-2-benzofuran-1-one.
Chemical Property Profile of (Z)-Butylidenephthalide
Property Insights of (Z)-Butylidenephthalide
The XLogP value of 3.2 indicates that (Z)-Butylidenephthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-Butylidenephthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-Butylidenephthalide 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 (Z)-Butylidenephthalide?
The CAS number of (Z)-Butylidenephthalide is 1795142-65-2.
What is the molecular formula of (Z)-Butylidenephthalide?
The molecular formula of (Z)-Butylidenephthalide is C12H12O2.
What is the molecular weight of (Z)-Butylidenephthalide?
The molecular weight of (Z)-Butylidenephthalide is 188.08 g/mol.
Where can I buy (Z)-Butylidenephthalide?
You can request a quote for (Z)-Butylidenephthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-Butylidenephthalide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-Butylidenephthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.