亚丁基苯酞
TL;DR: 亚丁基苯酞 (CAS 551-08-6) 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.
亚丁基苯酞
3-butylidene-2-benzofuran-1-one
Also Known As: 3-Butylidenephthalide, Butylidenephthalide, Butylidene phthalide, 3-Butylidene phthalide, BdPh
| 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 | 551-08-6 |
|---|---|
| SMILES | CCCC=C1C2=CC=CC=C2C(=O)O1 |
| InChIKey | WMBOCUXXNSOQHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚丁基苯酞 (CAS 551-08-6), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 3-butylidene-2-benzofuran-1-one.
Chemical Property Profile of 亚丁基苯酞
Property Insights of 亚丁基苯酞
The XLogP value of 3.2 indicates that 亚丁基苯酞 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 亚丁基苯酞 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚丁基苯酞 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 亚丁基苯酞?
The CAS number of 亚丁基苯酞 is 551-08-6.
What is the molecular formula of 亚丁基苯酞?
The molecular formula of 亚丁基苯酞 is C12H12O2.
What is the molecular weight of 亚丁基苯酞?
The molecular weight of 亚丁基苯酞 is 188.08 g/mol.
Where can I buy 亚丁基苯酞?
You can request a quote for 亚丁基苯酞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚丁基苯酞?
Yes, KEHONG BIO provides custom synthesis services for 亚丁基苯酞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.