N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide
TL;DR: N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide (CAS 590376-18-4) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(3-phenylpropanoylamino)thiourea
Also Known As: 1-ethyl-3-(3-phenylpropanoylamino)thiourea, 3-ethyl-1-(3-phenylpropanoylamino)thiourea, N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide, Benzenepropanoic acid, 2-[(ethylamino)thioxomethyl]hydrazide, N-{[(ethylamino)thioxomethyl]amino}-3-phenylpropanamide
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 1.1344 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 367.27332 |
Chemical Identifiers
| CAS Number | 590376-18-4 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)CCC1=CC=CC=C1 |
Product Overview
N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide (CAS 590376-18-4), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: 1-ethyl-3-(3-phenylpropanoylamino)thiourea.
Chemical Property Profile of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide
Property Insights of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide
The XLogP value of 1.1344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide. With a topological polar surface area (TPSA) of 53.16 Ų, N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide has 3 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 N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide?
The CAS number of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide is 590376-18-4.
What is the molecular formula of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide?
The molecular formula of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide is C12H17N3OS.
What is the molecular weight of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide?
The molecular weight of N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide is 251.11 g/mol.
Where can I buy N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide?
You can request a quote for N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.