3-(3-Phenoxypropoxy)benzenecarbothioamide
TL;DR: 3-(3-Phenoxypropoxy)benzenecarbothioamide (CAS 18859-13-7) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenoxypropoxy)benzenecarbothioamide
Also Known As: 3-(3-phenoxypropoxy)benzenecarbothioamide, 3-(3-Phenoxypropoxy)benzene-1-carbothioamide
| Molecular Formula | C16H17NO2S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 3.1687 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.098 |
| Heavy Atoms | 20 |
| Complexity | 557.41315 |
Chemical Identifiers
| CAS Number | 18859-13-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCOC2=CC=CC(=C2)C(=S)N |
Product Overview
3-(3-Phenoxypropoxy)benzenecarbothioamide (CAS 18859-13-7), with molecular formula C16H17NO2S and molecular weight 287.10 g/mol. IUPAC: 3-(3-phenoxypropoxy)benzenecarbothioamide.
Chemical Property Profile of 3-(3-Phenoxypropoxy)benzenecarbothioamide
Property Insights of 3-(3-Phenoxypropoxy)benzenecarbothioamide
The XLogP value of 3.1687 indicates that 3-(3-Phenoxypropoxy)benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.48 Ų, 3-(3-Phenoxypropoxy)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenoxypropoxy)benzenecarbothioamide has 1 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 3-(3-Phenoxypropoxy)benzenecarbothioamide?
The CAS number of 3-(3-Phenoxypropoxy)benzenecarbothioamide is 18859-13-7.
What is the molecular formula of 3-(3-Phenoxypropoxy)benzenecarbothioamide?
The molecular formula of 3-(3-Phenoxypropoxy)benzenecarbothioamide is C16H17NO2S.
What is the molecular weight of 3-(3-Phenoxypropoxy)benzenecarbothioamide?
The molecular weight of 3-(3-Phenoxypropoxy)benzenecarbothioamide is 287.10 g/mol.
Where can I buy 3-(3-Phenoxypropoxy)benzenecarbothioamide?
You can request a quote for 3-(3-Phenoxypropoxy)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Phenoxypropoxy)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenoxypropoxy)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.