L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester
TL;DR: L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester (CAS 88162-11-2) is a chemical compound with molecular formula C13H16BrNO3S and molecular weight 345.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-acetamido-3-[(2-bromophenyl)methylsulfanyl]propanoate
Also Known As: L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester, methyl (2R)-2-acetamido-3-[(2-bromophenyl)methylsulfanyl]propanoate, Methyl (2S)-2-acetamido-3-[(2-bromophenyl)methylsulfanyl]propanoate, N-(3-{[(2-Bromophenyl)methyl]sulfanyl}-1-methoxy-1-oxopropan-2-yl)ethanimidic acid, N-[(2R)-3-{[(2-Bromophenyl)methyl]sulfanyl}-1-methoxy-1-oxopropan-2-yl]ethanimidic acid
| Molecular Formula | C13H16BrNO3S |
|---|---|
| Molecular Weight | 345.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.00342 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 88162-11-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC1=CC=CC=C1Br)C(=O)OC |
| InChIKey | LRXSPQIRJAPJJA-LBPRGKRZSA-N |
Product Overview
L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester (CAS 88162-11-2), with molecular formula C13H16BrNO3S and molecular weight 345.00 g/mol. IUPAC: methyl (2R)-2-acetamido-3-[(2-bromophenyl)methylsulfanyl]propanoate.
Chemical Property Profile of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester
Property Insights of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester. Following Lipinski's Rule of Five, L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester 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
Frequently Asked Questions
What is the CAS number of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester?
The CAS number of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester is 88162-11-2.
What is the molecular formula of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester?
The molecular formula of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester is C13H16BrNO3S.
What is the molecular weight of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester?
The molecular weight of L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester is 345.00 g/mol.
Where can I buy L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester?
You can request a quote for L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Cysteine, N-acetyl-S-((2-bromophenyl)methyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.