O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate
TL;DR: O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate (CAS 64608-66-8) is a chemical compound with molecular formula C16H25NOS and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate
Also Known As: o-butan-2-yl ethyl(3-phenylpropyl)carbamothioate, O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate, O-(Butan-2-yl) ethyl(3-phenylpropyl)carbamothioate, 1-butan-2-yloxy-N-ethyl-N-(3-phenylpropyl)methanethioamide, Carbamothioic acid, N-ethyl-N-(3-phenylpropyl)-, O-but-2-yl ester
| Molecular Formula | C16H25NOS |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.16568 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 64608-66-8 |
|---|---|
| SMILES | CCC(C)OC(=S)N(CC)CCCC1=CC=CC=C1 |
| InChIKey | SFAGWLJZHREFQQ-UHFFFAOYSA-N |
Product Overview
O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate (CAS 64608-66-8), with molecular formula C16H25NOS and molecular weight 279.17 g/mol. IUPAC: O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate.
Chemical Property Profile of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate
Property Insights of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate
The XLogP value of 4.7 indicates that O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate 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 O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate?
The CAS number of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate is 64608-66-8.
What is the molecular formula of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate?
The molecular formula of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate is C16H25NOS.
What is the molecular weight of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate?
The molecular weight of O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate is 279.17 g/mol.
Where can I buy O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate?
You can request a quote for O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.