4,4'-(Thioureylene)dibutyric acid
TL;DR: 4,4'-(Thioureylene)dibutyric acid (CAS 7256-00-0) is a chemical compound with molecular formula C9H16N2O4S and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-carboxypropylcarbamothioylamino)butanoic acid
Also Known As: 1,3-bis thiourea, 1,3-Bis(3-carboxypropyl) thiourea, Urea, 1,3-bis(3-carboxypropyl)-2-thio-, 4,4'-(Thioureylene)dibutyric acid, Butyric acid, 4,4'-(thioureylene)di-
| Molecular Formula | C9H16N2O4S |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 0.1801 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.08308 |
| Heavy Atoms | 16 |
| Complexity | 233.89354 |
Chemical Identifiers
| CAS Number | 7256-00-0 |
|---|---|
| SMILES | C(CC(=O)O)CNC(=S)NCCCC(=O)O |
Product Overview
4,4'-(Thioureylene)dibutyric acid (CAS 7256-00-0), with molecular formula C9H16N2O4S and molecular weight 248.08 g/mol. IUPAC: 4-(3-carboxypropylcarbamothioylamino)butanoic acid.
Chemical Property Profile of 4,4'-(Thioureylene)dibutyric acid
Property Insights of 4,4'-(Thioureylene)dibutyric acid
The XLogP value of 0.1801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(Thioureylene)dibutyric acid. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Thioureylene)dibutyric acid. Following Lipinski's Rule of Five, 4,4'-(Thioureylene)dibutyric acid has 4 hydrogen bond donor(s) and 3 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 4,4'-(Thioureylene)dibutyric acid?
The CAS number of 4,4'-(Thioureylene)dibutyric acid is 7256-00-0.
What is the molecular formula of 4,4'-(Thioureylene)dibutyric acid?
The molecular formula of 4,4'-(Thioureylene)dibutyric acid is C9H16N2O4S.
What is the molecular weight of 4,4'-(Thioureylene)dibutyric acid?
The molecular weight of 4,4'-(Thioureylene)dibutyric acid is 248.08 g/mol.
Where can I buy 4,4'-(Thioureylene)dibutyric acid?
You can request a quote for 4,4'-(Thioureylene)dibutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Thioureylene)dibutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Thioureylene)dibutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.