3-(Octylcarbamothioylamino)propanoic acid
TL;DR: 3-(Octylcarbamothioylamino)propanoic acid (CAS 5540-67-0) is a chemical compound with molecular formula C12H24N2O2S and molecular weight 260.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(octylcarbamothioylamino)propanoic acid
Also Known As: 3-(octylcarbamothioylamino)propanoic acid, beta-Alanine, N-[(octylamino)thioxomethyl]-
| Molecular Formula | C12H24N2O2S |
|---|---|
| Molecular Weight | 260.16 g/mol |
| LogP | 2.2857 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.15585 |
| Heavy Atoms | 17 |
| Complexity | 222.55116 |
Chemical Identifiers
| CAS Number | 5540-67-0 |
|---|---|
| SMILES | CCCCCCCCNC(=S)NCCC(=O)O |
Product Overview
3-(Octylcarbamothioylamino)propanoic acid (CAS 5540-67-0), with molecular formula C12H24N2O2S and molecular weight 260.16 g/mol. IUPAC: 3-(octylcarbamothioylamino)propanoic acid.
Chemical Property Profile of 3-(Octylcarbamothioylamino)propanoic acid
Property Insights of 3-(Octylcarbamothioylamino)propanoic acid
The XLogP value of 2.2857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Octylcarbamothioylamino)propanoic acid. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Octylcarbamothioylamino)propanoic acid. Following Lipinski's Rule of Five, 3-(Octylcarbamothioylamino)propanoic acid has 3 hydrogen bond donor(s) and 2 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 3-(Octylcarbamothioylamino)propanoic acid?
The CAS number of 3-(Octylcarbamothioylamino)propanoic acid is 5540-67-0.
What is the molecular formula of 3-(Octylcarbamothioylamino)propanoic acid?
The molecular formula of 3-(Octylcarbamothioylamino)propanoic acid is C12H24N2O2S.
What is the molecular weight of 3-(Octylcarbamothioylamino)propanoic acid?
The molecular weight of 3-(Octylcarbamothioylamino)propanoic acid is 260.16 g/mol.
Where can I buy 3-(Octylcarbamothioylamino)propanoic acid?
You can request a quote for 3-(Octylcarbamothioylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Octylcarbamothioylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Octylcarbamothioylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.