Butyl 4-(butanoylcarbamothioylamino)benzoate
TL;DR: Butyl 4-(butanoylcarbamothioylamino)benzoate (CAS 429650-77-1) is a chemical compound with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(butanoylcarbamothioylamino)benzoate
Also Known As: butyl 4-(butanoylcarbamothioylamino)benzoate, butyl 4-(3-butyrylthioureido)benzoate, butyl 4-{[(butyrylamino)carbothioyl]amino}benzoate
| Molecular Formula | C16H22N2O3S |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.2566 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.1351 |
| Heavy Atoms | 22 |
| Complexity | 514.62714 |
Chemical Identifiers
| CAS Number | 429650-77-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC |
Product Overview
Butyl 4-(butanoylcarbamothioylamino)benzoate (CAS 429650-77-1), with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol. IUPAC: butyl 4-(butanoylcarbamothioylamino)benzoate.
Chemical Property Profile of Butyl 4-(butanoylcarbamothioylamino)benzoate
Property Insights of Butyl 4-(butanoylcarbamothioylamino)benzoate
The XLogP value of 3.2566 indicates that Butyl 4-(butanoylcarbamothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(butanoylcarbamothioylamino)benzoate. Following Lipinski's Rule of Five, Butyl 4-(butanoylcarbamothioylamino)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 Butyl 4-(butanoylcarbamothioylamino)benzoate?
The CAS number of Butyl 4-(butanoylcarbamothioylamino)benzoate is 429650-77-1.
What is the molecular formula of Butyl 4-(butanoylcarbamothioylamino)benzoate?
The molecular formula of Butyl 4-(butanoylcarbamothioylamino)benzoate is C16H22N2O3S.
What is the molecular weight of Butyl 4-(butanoylcarbamothioylamino)benzoate?
The molecular weight of Butyl 4-(butanoylcarbamothioylamino)benzoate is 322.14 g/mol.
Where can I buy Butyl 4-(butanoylcarbamothioylamino)benzoate?
You can request a quote for Butyl 4-(butanoylcarbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(butanoylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(butanoylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.