![N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid structure](/static/products/7710/77109-49-0.webp)
N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
TL;DR: N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid (CAS 77109-49-0) is a chemical compound with molecular formula C8H14BrNO3S and molecular weight 282.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-(2-bromoethylsulfanyl)propanoate
Also Known As: N-Acetyl-S-2-bromoethyl-L-cysteine methyl ester, L-Cysteine, N-acetyl-S-(2-bromoethyl)-, methyl ester, L-N-Acetyl-3-((2-bromoethyl)thio)alanine methyl ester, N-Acetyl-S-(2-bromoethyl)-L-cysteine, methyl ester, methyl 2-acetamido-3-(2-bromoethylsulfanyl)propanoate
| Molecular Formula | C8H14BrNO3S |
|---|---|
| Molecular Weight | 282.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.9878 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 77109-49-0 |
|---|---|
| SMILES | CC(=O)NC(CSCCBr)C(=O)OC |
| InChIKey | IWTQNTFCJNYJAZ-UHFFFAOYSA-N |
Product Overview
N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid (CAS 77109-49-0), with molecular formula C8H14BrNO3S and molecular weight 282.99 g/mol. IUPAC: methyl 2-acetamido-3-(2-bromoethylsulfanyl)propanoate.
Chemical Property Profile of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
Property Insights of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid. Following Lipinski's Rule of Five, N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid 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 N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid?
The CAS number of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid is 77109-49-0.
What is the molecular formula of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid?
The molecular formula of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid is C8H14BrNO3S.
What is the molecular weight of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid?
The molecular weight of N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid is 282.99 g/mol.
Where can I buy N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid?
You can request a quote for N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(2-Bromoethyl)sulfanyl]-1-methoxy-1-oxopropan-2-yl}ethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.