(2-Carboxy-3-phenylpropyl)methylsulfodiimide
TL;DR: (2-Carboxy-3-phenylpropyl)methylsulfodiimide (CAS 120882-31-7) is a chemical compound with molecular formula C11H16N2O2S and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-benzyl-3-(methylsulfonodiimidoyl)propanoic acid
Also Known As: (2-Carboxy-3-phenylpropyl)methylsulfodiimide, s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane, (2S)-2-benzyl-3-(methylsulfonodiimidoyl)propanoic acid, (2S)-2-Benzyl-3-(S-methylsulfonodiimidoyl)propanoic acid, (2S)-2-Benzyl-3-(S-methanesulfonodiimidoyl)propanoic acid
| Molecular Formula | C11H16N2O2S |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.23844 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.09325 |
| Heavy Atoms | 16 |
| Complexity | 454.13272 |
Chemical Identifiers
| CAS Number | 120882-31-7 |
|---|---|
| SMILES | CS(=N)(=N)C[C@@H](CC1=CC=CC=C1)C(=O)O |
Product Overview
(2-Carboxy-3-phenylpropyl)methylsulfodiimide (CAS 120882-31-7), with molecular formula C11H16N2O2S and molecular weight 240.09 g/mol. IUPAC: (2S)-2-benzyl-3-(methylsulfonodiimidoyl)propanoic acid.
Chemical Property Profile of (2-Carboxy-3-phenylpropyl)methylsulfodiimide
Property Insights of (2-Carboxy-3-phenylpropyl)methylsulfodiimide
The XLogP value of 2.23844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Carboxy-3-phenylpropyl)methylsulfodiimide. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Carboxy-3-phenylpropyl)methylsulfodiimide. Following Lipinski's Rule of Five, (2-Carboxy-3-phenylpropyl)methylsulfodiimide has 3 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 (2-Carboxy-3-phenylpropyl)methylsulfodiimide?
The CAS number of (2-Carboxy-3-phenylpropyl)methylsulfodiimide is 120882-31-7.
What is the molecular formula of (2-Carboxy-3-phenylpropyl)methylsulfodiimide?
The molecular formula of (2-Carboxy-3-phenylpropyl)methylsulfodiimide is C11H16N2O2S.
What is the molecular weight of (2-Carboxy-3-phenylpropyl)methylsulfodiimide?
The molecular weight of (2-Carboxy-3-phenylpropyl)methylsulfodiimide is 240.09 g/mol.
Where can I buy (2-Carboxy-3-phenylpropyl)methylsulfodiimide?
You can request a quote for (2-Carboxy-3-phenylpropyl)methylsulfodiimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Carboxy-3-phenylpropyl)methylsulfodiimide?
Yes, KEHONG BIO provides custom synthesis services for (2-Carboxy-3-phenylpropyl)methylsulfodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.