Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate
TL;DR: Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate (CAS 351165-98-5) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate
Also Known As: AB00104323-01, ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate, ethyl 4-(3-((tetrahydrofuran-2-yl)methyl)thioureido)benzoate, ethyl 4-{[(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino}benzoate
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.3287 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 484.19702 |
Chemical Identifiers
| CAS Number | 351165-98-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2CCCO2 |
Product Overview
Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate (CAS 351165-98-5), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate
Property Insights of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate
The XLogP value of 2.3287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate. With a topological polar surface area (TPSA) of 59.59 Ų, Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)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 Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate?
The CAS number of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate is 351165-98-5.
What is the molecular formula of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate?
The molecular formula of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate is C15H20N2O3S.
What is the molecular weight of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate?
The molecular weight of Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate is 308.12 g/mol.
Where can I buy Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate?
You can request a quote for Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.