3-(4-Butoxyphenyl)propyl thioamide
TL;DR: 3-(4-Butoxyphenyl)propyl thioamide (CAS 89790-06-7) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxyphenyl)propanethioamide
Also Known As: BOPPT, 3-(4-butoxyphenyl)propanethioamide, 3-(4-Butoxyphenyl)propyl thioamide, 3-(4-Butoxyphenyl)propanimidothioic acid, RefChem:92399
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.0842 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 321.2094 |
Chemical Identifiers
| CAS Number | 89790-06-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CCC(=S)N |
Product Overview
3-(4-Butoxyphenyl)propyl thioamide (CAS 89790-06-7), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: 3-(4-butoxyphenyl)propanethioamide.
Chemical Property Profile of 3-(4-Butoxyphenyl)propyl thioamide
Property Insights of 3-(4-Butoxyphenyl)propyl thioamide
The XLogP value of 3.0842 indicates that 3-(4-Butoxyphenyl)propyl thioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 3-(4-Butoxyphenyl)propyl thioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butoxyphenyl)propyl thioamide 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 3-(4-Butoxyphenyl)propyl thioamide?
The CAS number of 3-(4-Butoxyphenyl)propyl thioamide is 89790-06-7.
What is the molecular formula of 3-(4-Butoxyphenyl)propyl thioamide?
The molecular formula of 3-(4-Butoxyphenyl)propyl thioamide is C13H19NOS.
What is the molecular weight of 3-(4-Butoxyphenyl)propyl thioamide?
The molecular weight of 3-(4-Butoxyphenyl)propyl thioamide is 237.12 g/mol.
Where can I buy 3-(4-Butoxyphenyl)propyl thioamide?
You can request a quote for 3-(4-Butoxyphenyl)propyl thioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butoxyphenyl)propyl thioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butoxyphenyl)propyl thioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.