(4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate
TL;DR: (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate (CAS 41194-86-9) is a chemical compound with molecular formula C11H12BrClO3 and molecular weight 305.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate
Also Known As: (4-bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate, 4-Bromo-2-methoxy-5-methylphenyl 3-chloropropanoate, 4-Bromo-2-methoxy-5-methylphenyl 3-chloropropanoate #, 3-Chloropropionicacid4-bromo-2-methoxy-5-methylphenylester, Propanoic acid, 3-chloro-, 4-bromo-2-methoxy-5-methylphenyl ester
| Molecular Formula | C11H12BrClO3 |
|---|---|
| Molecular Weight | 305.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.96582 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 41194-86-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Br)OC)OC(=O)CCCl |
| InChIKey | ATOOEDHYGQDCLO-UHFFFAOYSA-N |
Product Overview
(4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate (CAS 41194-86-9), with molecular formula C11H12BrClO3 and molecular weight 305.97 g/mol. IUPAC: (4-bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate.
Chemical Property Profile of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate
Property Insights of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate
The XLogP value of 3.2 indicates that (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate 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 (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate?
The CAS number of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate is 41194-86-9.
What is the molecular formula of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate?
The molecular formula of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate is C11H12BrClO3.
What is the molecular weight of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate?
The molecular weight of (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate is 305.97 g/mol.
Where can I buy (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate?
You can request a quote for (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-methoxy-5-methylphenyl) 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.