N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester
TL;DR: N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester (CAS 109621-21-8) is a chemical compound with molecular formula C16H22BrNO2S and molecular weight 371.05545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2R)-1-(2-bromo-2-phenylethyl)sulfanyl-3-methoxybut-3-en-2-yl]propanamide
Also Known As: N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester, 1-(2,4,5-trimethoxyphenyl)-1-(2-methoxyphenyl) ethylene, L-Cysteine, N-acetyl-S-(2-bromo-2-phenylethyl)-, methyl ester, N-[(2R)-1-(2-bromo-2-phenylethyl)sulfanyl-3-methoxybut-3-en-2-yl]propanamide, N-{(2R)-1-[(2-Bromo-2-phenylethyl)sulfanyl]-3-methoxybut-3-en-2-yl}propanimidic acid
Technical Specifications
| Molecular Formula | C16H22BrNO2S |
| Molecular Weight | 371.05545 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.05545 Da |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
| SMILES | CCC(=O)N[C@@H](CSCC(C1=CC=CC=C1)Br)C(=C)OC |
| InChIKey | XBGIJNKHVHUXPT-LOACHALJSA-N |
Chemical Property Profile of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester
Property Insights of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester
The XLogP value of 3.4 indicates that N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester. Following Lipinski's Rule of Five, N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester?
The CAS number of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester is 109621-21-8.
What is the molecular formula of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester?
The molecular formula of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester is C16H22BrNO2S.
What is the molecular weight of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester?
The molecular weight of N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester is 371.05545 g/mol.
Where can I buy N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester?
You can request a quote for N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester?
Yes, CoreyChem provides custom synthesis services for N-Acetyl-S-(2-bromo-2-phenylethyl)-L-cysteine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.