(2S)-2-(benzylcarbamothioylamino)butanedioic acid
TL;DR: (2S)-2-(benzylcarbamothioylamino)butanedioic acid (CAS 134124-46-2) is a chemical compound with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(benzylcarbamothioylamino)butanedioic acid
Also Known As: N-Benzyl-N'-(1,2-dicarboxyethyl)thiourea, (2S)-2-(benzylcarbamothioylamino)butanedioic acid
| Molecular Formula | C12H14N2O4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 0.5786 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.0674 |
| Heavy Atoms | 19 |
| Complexity | 464.057 |
Chemical Identifiers
| CAS Number | 134124-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)N[C@@H](CC(=O)O)C(=O)O |
Product Overview
(2S)-2-(benzylcarbamothioylamino)butanedioic acid (CAS 134124-46-2), with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol. IUPAC: (2S)-2-(benzylcarbamothioylamino)butanedioic acid.
Chemical Property Profile of (2S)-2-(benzylcarbamothioylamino)butanedioic acid
Property Insights of (2S)-2-(benzylcarbamothioylamino)butanedioic acid
The XLogP value of 0.5786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(benzylcarbamothioylamino)butanedioic acid. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(benzylcarbamothioylamino)butanedioic acid. Following Lipinski's Rule of Five, (2S)-2-(benzylcarbamothioylamino)butanedioic 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 (2S)-2-(benzylcarbamothioylamino)butanedioic acid?
The CAS number of (2S)-2-(benzylcarbamothioylamino)butanedioic acid is 134124-46-2.
What is the molecular formula of (2S)-2-(benzylcarbamothioylamino)butanedioic acid?
The molecular formula of (2S)-2-(benzylcarbamothioylamino)butanedioic acid is C12H14N2O4S.
What is the molecular weight of (2S)-2-(benzylcarbamothioylamino)butanedioic acid?
The molecular weight of (2S)-2-(benzylcarbamothioylamino)butanedioic acid is 282.07 g/mol.
Where can I buy (2S)-2-(benzylcarbamothioylamino)butanedioic acid?
You can request a quote for (2S)-2-(benzylcarbamothioylamino)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(benzylcarbamothioylamino)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(benzylcarbamothioylamino)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.