Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate
TL;DR: Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate (CAS 692284-52-9) is a chemical compound with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate
Also Known As: methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate, Methyl 4-(3-dimethylaminopropylthiocarbamoylamino)benzoate, methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate, methyl 4-({[3-(dimethylamino)propyl]carbamothioyl}amino)benzoate
| Molecular Formula | C14H21N3O2S |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 1.7113 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.13544 |
| Heavy Atoms | 20 |
| Complexity | 446.23718 |
Chemical Identifiers
| CAS Number | 692284-52-9 |
|---|---|
| SMILES | CN(C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate (CAS 692284-52-9), with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol. IUPAC: methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate
Property Insights of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate
The XLogP value of 1.7113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate. With a topological polar surface area (TPSA) of 53.6 Ų, Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate has 2 hydrogen bond donor(s) and 4 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 Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate?
The CAS number of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate is 692284-52-9.
What is the molecular formula of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate?
The molecular formula of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate is C14H21N3O2S.
What is the molecular weight of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate?
The molecular weight of Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate is 295.14 g/mol.
Where can I buy Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate?
You can request a quote for Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-(3-(dimethylamino)propyl)thioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.