Acetic acid, thioester with 2-bromo-3-mercatopropanamide
TL;DR: Acetic acid, thioester with 2-bromo-3-mercatopropanamide (CAS 7666-04-8) is a chemical compound with molecular formula C5H8BrNO2S and molecular weight 224.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-amino-2-bromo-3-oxopropyl) ethanethioate
Also Known As: s-(3-amino-2-bromo-3-oxopropyl) ethanethioate, ACETIC ACID, THIOESTER WITH 2-BROMO-3-MERCATOPROPANAMIDE
| Molecular Formula | C5H8BrNO2S |
|---|---|
| Molecular Weight | 224.95 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.9459 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 7666-04-8 |
|---|---|
| SMILES | CC(=O)SCC(C(=O)N)Br |
| InChIKey | NHYONCFBJDVWLW-UHFFFAOYSA-N |
Product Overview
Acetic acid, thioester with 2-bromo-3-mercatopropanamide (CAS 7666-04-8), with molecular formula C5H8BrNO2S and molecular weight 224.95 g/mol. IUPAC: S-(3-amino-2-bromo-3-oxopropyl) ethanethioate.
Chemical Property Profile of Acetic acid, thioester with 2-bromo-3-mercatopropanamide
Property Insights of Acetic acid, thioester with 2-bromo-3-mercatopropanamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thioester with 2-bromo-3-mercatopropanamide. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thioester with 2-bromo-3-mercatopropanamide. Following Lipinski's Rule of Five, Acetic acid, thioester with 2-bromo-3-mercatopropanamide 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
Frequently Asked Questions
What is the CAS number of Acetic acid, thioester with 2-bromo-3-mercatopropanamide?
The CAS number of Acetic acid, thioester with 2-bromo-3-mercatopropanamide is 7666-04-8.
What is the molecular formula of Acetic acid, thioester with 2-bromo-3-mercatopropanamide?
The molecular formula of Acetic acid, thioester with 2-bromo-3-mercatopropanamide is C5H8BrNO2S.
What is the molecular weight of Acetic acid, thioester with 2-bromo-3-mercatopropanamide?
The molecular weight of Acetic acid, thioester with 2-bromo-3-mercatopropanamide is 224.95 g/mol.
Where can I buy Acetic acid, thioester with 2-bromo-3-mercatopropanamide?
You can request a quote for Acetic acid, thioester with 2-bromo-3-mercatopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, thioester with 2-bromo-3-mercatopropanamide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, thioester with 2-bromo-3-mercatopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.