Brotianide
TL;DR: Brotianide (CAS 23233-88-7) is a chemical compound with molecular formula C15H10Br2ClNO2S and molecular weight 460.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl] acetate
Also Known As: Brotianide, Brotianida, Dirian, Brotianidum, Bromtianide
| Molecular Formula | C15H10Br2ClNO2S |
|---|---|
| Molecular Weight | 460.85 g/mol |
| LogP | 5.5779 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.84875 |
| Heavy Atoms | 22 |
| Complexity | 735.06744 |
Chemical Identifiers
| CAS Number | 23233-88-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)Cl)C(=S)NC2=CC=C(C=C2)Br |
Product Overview
Brotianide (CAS 23233-88-7), with molecular formula C15H10Br2ClNO2S and molecular weight 460.85 g/mol. IUPAC: [2-bromo-6-[(4-bromophenyl)carbamothioyl]-4-chlorophenyl] acetate.
Chemical Property Profile of Brotianide
Property Insights of Brotianide
The XLogP value of 5.5779 indicates that Brotianide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Brotianide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brotianide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brotianide?
The CAS number of Brotianide is 23233-88-7.
What is the molecular formula of Brotianide?
The molecular formula of Brotianide is C15H10Br2ClNO2S.
What is the molecular weight of Brotianide?
The molecular weight of Brotianide is 460.85 g/mol.
Where can I buy Brotianide?
You can request a quote for Brotianide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brotianide?
Yes, KEHONG BIO provides custom synthesis services for Brotianide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.