C14H16BrCl2NO5S
TL;DR: C14H16BrCl2NO5S (CAS 3785-28-2) is a chemical compound with molecular formula C14H16BrCl2NO5S and molecular weight 458.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate
Also Known As: Acetic acid, bromo-, 2-((dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl ester, 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate, 2,2-Dichloro-N-(2-hydroxyethyl)-N-(p-(methylsulfonyl)benzyl)acetamide bromoacetate (ester), Acetic acid, 2-bromo-, 2-[(2,2-dichloroacetyl)[[4-(methylsulfonyl)phenyl]methyl]amino]ethyl ester, 2-((2,2-Dichloroacetyl)((4-(methylsulfonyl)phenyl)methyl)amino)ethyl 2-bromoacetate
| Molecular Formula | C14H16BrCl2NO5S |
|---|---|
| Molecular Weight | 458.93 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.93097 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 3785-28-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CN(CCOC(=O)CBr)C(=O)C(Cl)Cl |
| InChIKey | NZOLBUNOTNPNKG-UHFFFAOYSA-N |
Product Overview
C14H16BrCl2NO5S (CAS 3785-28-2), with molecular formula C14H16BrCl2NO5S and molecular weight 458.93 g/mol. IUPAC: 2-[(2,2-dichloroacetyl)-[(4-methylsulfonylphenyl)methyl]amino]ethyl 2-bromoacetate.
Chemical Property Profile of C14H16BrCl2NO5S
Property Insights of C14H16BrCl2NO5S
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H16BrCl2NO5S. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H16BrCl2NO5S. Following Lipinski's Rule of Five, C14H16BrCl2NO5S has 0 hydrogen bond donor(s) and 5 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 C14H16BrCl2NO5S?
The CAS number of C14H16BrCl2NO5S is 3785-28-2.
What is the molecular formula of C14H16BrCl2NO5S?
The molecular formula of C14H16BrCl2NO5S is C14H16BrCl2NO5S.
What is the molecular weight of C14H16BrCl2NO5S?
The molecular weight of C14H16BrCl2NO5S is 458.93 g/mol.
Where can I buy C14H16BrCl2NO5S?
You can request a quote for C14H16BrCl2NO5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H16BrCl2NO5S?
Yes, KEHONG BIO provides custom synthesis services for C14H16BrCl2NO5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.