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1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea
TL;DR: 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea (CAS 690686-09-0) is a chemical compound with molecular formula C12H18FN3S and molecular weight 255.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)thiourea
Also Known As: 1-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)thiourea, 1-(3-dimethylaminopropyl)-3-(3-fluorophenyl)thiourea
| Molecular Formula | C12H18FN3S |
|---|---|
| Molecular Weight | 255.12 g/mol |
| LogP | 2.0638 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12054 |
| Heavy Atoms | 17 |
| Complexity | 368.52332 |
Chemical Identifiers
| CAS Number | 690686-09-0 |
|---|---|
| SMILES | CN(C)CCCNC(=S)NC1=CC(=CC=C1)F |
Product Overview
1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea (CAS 690686-09-0), with molecular formula C12H18FN3S and molecular weight 255.12 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)thiourea.
Chemical Property Profile of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea
Property Insights of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea
The XLogP value of 2.0638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea. With a topological polar surface area (TPSA) of 27.3 Ų, 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea has 2 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 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea?
The CAS number of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea is 690686-09-0.
What is the molecular formula of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea?
The molecular formula of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea is C12H18FN3S.
What is the molecular weight of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea?
The molecular weight of 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea is 255.12 g/mol.
Where can I buy 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea?
You can request a quote for 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Dimethylamino)propyl]-3-(3-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.