6-phenyl-hex-5-enoic acid
TL;DR: 6-phenyl-hex-5-enoic acid (CAS 5771-67-5) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide
Also Known As: 6-phenyl-hex-5-enoic acid, N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide, BAS 00844422, BIM-0032357.P001, AB00096399-01
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 5771-67-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2 |
| InChIKey | SDFUQJBJIUAMFM-UHFFFAOYSA-N |
Product Overview
6-phenyl-hex-5-enoic acid (CAS 5771-67-5), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: N-[3-(tert-butylcarbamoyl)phenyl]thiophene-2-carboxamide.
Chemical Property Profile of 6-phenyl-hex-5-enoic acid
Property Insights of 6-phenyl-hex-5-enoic acid
The XLogP value of 3.0 indicates that 6-phenyl-hex-5-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-phenyl-hex-5-enoic acid. Following Lipinski's Rule of Five, 6-phenyl-hex-5-enoic acid has 2 hydrogen bond donor(s) and 3 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 6-phenyl-hex-5-enoic acid?
The CAS number of 6-phenyl-hex-5-enoic acid is 5771-67-5.
What is the molecular formula of 6-phenyl-hex-5-enoic acid?
The molecular formula of 6-phenyl-hex-5-enoic acid is C16H18N2O2S.
What is the molecular weight of 6-phenyl-hex-5-enoic acid?
The molecular weight of 6-phenyl-hex-5-enoic acid is 302.11 g/mol.
Where can I buy 6-phenyl-hex-5-enoic acid?
You can request a quote for 6-phenyl-hex-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-phenyl-hex-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-phenyl-hex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.