丁基鄰苯二甲醚
TL;DR: 丁基鄰苯二甲醚 (CAS 6066-49-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基鄰苯二甲醚
3-butyl-3H-2-benzofuran-1-one
Also Known As: Butylphthalide, 3-n-Butylphthalide, 3-BUTYLPHTHALIDE, 3-butylisobenzofuran-1(3H)-one, N-butylphthalide
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| Boiling Point | 177.00 to 178.00 °C. @ 15.00 mm Hg |
| Density | 1.068-1.074 |
| Solubility | Slightly soluble in water; soluble in oil |
| Refractive Index | 1.524-1.529 |
Chemical Identifiers
| CAS Number | 6066-49-5 |
|---|---|
| SMILES | CCCCC1C2=CC=CC=C2C(=O)O1 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基鄰苯二甲醚 (CAS 6066-49-5), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-butyl-3H-2-benzofuran-1-one.
Chemical Property Profile of 丁基鄰苯二甲醚
Property Insights of 丁基鄰苯二甲醚
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基鄰苯二甲醚. With a topological polar surface area (TPSA) of 26.3 Ų, 丁基鄰苯二甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基鄰苯二甲醚 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 丁基鄰苯二甲醚?
The CAS number of 丁基鄰苯二甲醚 is 6066-49-5.
What is the molecular formula of 丁基鄰苯二甲醚?
The molecular formula of 丁基鄰苯二甲醚 is C12H14O2.
What is the molecular weight of 丁基鄰苯二甲醚?
The molecular weight of 丁基鄰苯二甲醚 is 190.10 g/mol.
Where can I buy 丁基鄰苯二甲醚?
You can request a quote for 丁基鄰苯二甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基鄰苯二甲醚?
Yes, KEHONG BIO provides custom synthesis services for 丁基鄰苯二甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.