Bromoacetyltiamulin
TL;DR: Bromoacetyltiamulin (CAS 76298-40-3) is a chemical compound with molecular formula C26H40BrNO5S and molecular weight 557.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(12R)-4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[(2-bromoacetyl)amino]ethylsulfanyl]acetate
Also Known As: Bromoacetyltiamulin, [(12R)-4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[(2-bromoacetyl)amino]ethylsulfanyl]acetate, Acetic acid, ((2-((bromoacetyl)amino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9beta,9abeta,10S*))-, (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9beta,9abeta,10s*))-((2-((bromoacetyl)amino)ethyl)thio)-acetic acid 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3ah-cyclopentacycloocten-8-yl ester, 2-Bromo-N-[2-({2-[(6-ethenyl-5-hydroxy-4,6,9,12-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl)oxy]-2-oxoethyl}sulfanyl)ethyl]ethanimidic acid
| Molecular Formula | C26H40BrNO5S |
|---|---|
| Molecular Weight | 557.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.181 |
| Heavy Atoms | 34 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 76298-40-3 |
|---|---|
| SMILES | C[C@@H]1CCC2(C(CC(C(C(C13C2C(=O)CC3)C)O)(C)C=C)OC(=O)CSCCNC(=O)CBr)C |
| InChIKey | BFVZMKJRPHKXGG-YDTJOWTPSA-N |
Product Overview
Bromoacetyltiamulin (CAS 76298-40-3), with molecular formula C26H40BrNO5S and molecular weight 557.18 g/mol. IUPAC: [(12R)-4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[(2-bromoacetyl)amino]ethylsulfanyl]acetate.
Chemical Property Profile of Bromoacetyltiamulin
Property Insights of Bromoacetyltiamulin
The XLogP value of 4.8 indicates that Bromoacetyltiamulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoacetyltiamulin. Following Lipinski's Rule of Five, Bromoacetyltiamulin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromoacetyltiamulin?
The CAS number of Bromoacetyltiamulin is 76298-40-3.
What is the molecular formula of Bromoacetyltiamulin?
The molecular formula of Bromoacetyltiamulin is C26H40BrNO5S.
What is the molecular weight of Bromoacetyltiamulin?
The molecular weight of Bromoacetyltiamulin is 557.18 g/mol.
Where can I buy Bromoacetyltiamulin?
You can request a quote for Bromoacetyltiamulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoacetyltiamulin?
Yes, KEHONG BIO provides custom synthesis services for Bromoacetyltiamulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.