1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea
TL;DR: 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea (CAS 369604-14-8) is a chemical compound with molecular formula C16H26N2O2S and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4,4-diethoxybutan-2-yl)thiourea
Also Known As: 1-benzyl-3-(4,4-diethoxybutan-2-yl)thiourea
| Molecular Formula | C16H26N2O2S |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 2.8284 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.1715 |
| Heavy Atoms | 21 |
| Complexity | 394.52325 |
Chemical Identifiers
| CAS Number | 369604-14-8 |
|---|---|
| SMILES | CCOC(CC(C)NC(=S)NCC1=CC=CC=C1)OCC |
Product Overview
1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea (CAS 369604-14-8), with molecular formula C16H26N2O2S and molecular weight 310.17 g/mol. IUPAC: 1-benzyl-3-(4,4-diethoxybutan-2-yl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea
Property Insights of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea
The XLogP value of 2.8284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea. With a topological polar surface area (TPSA) of 42.52 Ų, 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea 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 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea?
The CAS number of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea is 369604-14-8.
What is the molecular formula of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea?
The molecular formula of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea is C16H26N2O2S.
What is the molecular weight of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea?
The molecular weight of 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea is 310.17 g/mol.
Where can I buy 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea?
You can request a quote for 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(4,4-diethoxybutan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.