1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
TL;DR: 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone (CAS 13621-46-0) is a chemical compound with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
Also Known As: 1-(4-bromophenyl)-2-morpholino-2-thioxoethanone, 1-(4-bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
| Molecular Formula | C12H12BrNO2S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 2.2914 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.9772 |
| Heavy Atoms | 17 |
| Complexity | 426.6367 |
Chemical Identifiers
| CAS Number | 13621-46-0 |
|---|---|
| SMILES | C1COCCN1C(=S)C(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone (CAS 13621-46-0), with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol. IUPAC: 1-(4-bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
Property Insights of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone
The XLogP value of 2.2914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone has 0 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 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The CAS number of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone is 13621-46-0.
What is the molecular formula of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The molecular formula of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone is C12H12BrNO2S.
What is the molecular weight of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone?
The molecular weight of 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone is 312.98 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone?
You can request a quote for 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-morpholin-4-yl-2-sulfanylideneethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.