丁基肉桂酸
TL;DR: 丁基肉桂酸 (CAS 4134-20-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基肉桂酸
2-benzylidenehexanoic acid
Also Known As: butylcinnamic acid, 2-benzylidenehexanoic acid, (2E)-2-benzylidenehexanoic acid
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 4134-20-7 |
|---|---|
| SMILES | CCCCC(=CC1=CC=CC=C1)C(=O)O |
| InChIKey | RQQOKGOWIHSMCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基肉桂酸 (CAS 4134-20-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2-benzylidenehexanoic acid.
Chemical Property Profile of 丁基肉桂酸
Property Insights of 丁基肉桂酸
The XLogP value of 3.0 indicates that 丁基肉桂酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 丁基肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基肉桂酸 has 1 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 丁基肉桂酸?
The CAS number of 丁基肉桂酸 is 4134-20-7.
What is the molecular formula of 丁基肉桂酸?
The molecular formula of 丁基肉桂酸 is C13H16O2.
What is the molecular weight of 丁基肉桂酸?
The molecular weight of 丁基肉桂酸 is 204.12 g/mol.
Where can I buy 丁基肉桂酸?
You can request a quote for 丁基肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 丁基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.