![Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate structure](/static/products/351/351060-56-5.png)
Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate (CAS 351060-56-5) 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-3-ylmethylcarbamothioylamino)benzoate
Also Known As: Maybridge1_003514, BAS 02232533, ethyl 4-(pyridin-3-ylmethylcarbamothioylamino)benzoate, ethyl 4-(3-(pyridin-3-ylmethyl)thioureido)benzoate, ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 351060-56-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2 |
| InChIKey | UDZCFFSHBAGNLD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate (CAS 351060-56-5), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: ethyl 4-(pyridin-3-ylmethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(pyridin-3-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-3-ylmethyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate is 351060-56-5.
What is the molecular formula of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate is C16H17N3O2S.
What is the molecular weight of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate is 315.10 g/mol.
Where can I buy Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(pyridin-3-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-3-ylmethyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(pyridin-3-ylmethyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.