Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-
TL;DR: Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- (CAS 78774-20-6) is a chemical compound with molecular formula C8H14INO3S and molecular weight 330.9739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-3-(2-iodoethylsulfanyl)propanoate
Also Known As: N-Acetyl-S-2-iodoethyl-L-cysteine methyl ester, L-N-Acetyl-3-((2-iodoethyl)thio)alanine methyl ester, ALANINE, N-ACETYL-3-((2-IODOETHYL)THIO)-, METHYL ESTER, L-, methyl 2-acetamido-3-(2-iodoethylsulfanyl)propanoate, methyl (2R)-2-acetamido-3-(2-iodoethylsulfanyl)propanoate
Technical Specifications
| Molecular Formula | C8H14INO3S |
| Molecular Weight | 330.9739 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.9739 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CC(=O)NC(CSCCI)C(=O)OC |
| InChIKey | NYPOMDMZXJIAEM-UHFFFAOYSA-N |
Chemical Property Profile of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-
Property Insights of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-. Following Lipinski's Rule of Five, Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-?
The CAS number of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- is 78774-20-6.
What is the molecular formula of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-?
The molecular formula of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- is C8H14INO3S.
What is the molecular weight of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-?
The molecular weight of Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- is 330.9739 g/mol.
Where can I buy Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-?
You can request a quote for Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L-?
Yes, CoreyChem provides custom synthesis services for Alanine, N-acetyl-3-((2-iodoethyl)thio)-, methyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.