![Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate structure](/static/products/7019/701927-63-1.webp)
Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate (CAS 701927-63-1) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(pyridin-2-ylmethylcarbamothioylamino)benzoate
Also Known As: ethyl 4-(3-(pyridin-2-ylmethyl)thioureido)benzoate, ethyl 4-(pyridin-2-ylmethylcarbamothioylamino)benzoate, ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate, ethyl 4-({[(2-pyridylmethyl)amino]thioxomethyl}amino)benzoate
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.7449 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 629.599 |
Chemical Identifiers
| CAS Number | 701927-63-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=N2 |
Product Overview
Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate (CAS 701927-63-1), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: ethyl 4-(pyridin-2-ylmethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate
The XLogP value of 2.7449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}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-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate is 701927-63-1.
What is the molecular formula of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate is C16H17N3O2S.
What is the molecular weight of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate is 315.10 g/mol.
Where can I buy Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}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-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(pyridin-2-ylmethyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.