3-Bromo-4-methylbenzoyl chloride
TL;DR: 3-Bromo-4-methylbenzoyl chloride (CAS 21900-33-4) is a chemical compound with molecular formula C8H6BrClO and molecular weight 231.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methylbenzoyl chloride
Also Known As: 3-bromo-4-methylbenzoyl chloride, 3-Bromo-4-methyl-benzoyl chloride, 3-Bromo-4-methylbenzoylchloride, 3-bromo-4-methyl benzoyl chloride, 3-Brom-4'-methylbenzophenon
| Molecular Formula | C8H6BrClO |
|---|---|
| Molecular Weight | 231.93 g/mol |
| LogP | 3.13652 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.92906 |
| Heavy Atoms | 11 |
| Complexity | 296.1436 |
Chemical Identifiers
| CAS Number | 21900-33-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)Cl)Br |
Product Overview
3-Bromo-4-methylbenzoyl chloride (CAS 21900-33-4), with molecular formula C8H6BrClO and molecular weight 231.93 g/mol. IUPAC: 3-bromo-4-methylbenzoyl chloride.
Chemical Property Profile of 3-Bromo-4-methylbenzoyl chloride
Property Insights of 3-Bromo-4-methylbenzoyl chloride
The XLogP value of 3.13652 indicates that 3-Bromo-4-methylbenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Bromo-4-methylbenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-methylbenzoyl chloride has 0 hydrogen bond donor(s) and 1 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 3-Bromo-4-methylbenzoyl chloride?
The CAS number of 3-Bromo-4-methylbenzoyl chloride is 21900-33-4.
What is the molecular formula of 3-Bromo-4-methylbenzoyl chloride?
The molecular formula of 3-Bromo-4-methylbenzoyl chloride is C8H6BrClO.
What is the molecular weight of 3-Bromo-4-methylbenzoyl chloride?
The molecular weight of 3-Bromo-4-methylbenzoyl chloride is 231.93 g/mol.
Where can I buy 3-Bromo-4-methylbenzoyl chloride?
You can request a quote for 3-Bromo-4-methylbenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-methylbenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-methylbenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.