Methyl 2-(dibromomethyl)benzoate
TL;DR: Methyl 2-(dibromomethyl)benzoate (CAS 90537-01-2) is a chemical compound with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(dibromomethyl)benzoate
Also Known As: Methyl 2-(dibromomethyl)benzoate, 2-(dibromomethyl)benzoic acid methyl ester, Methyl 2-(dibromomethyl)benzoate #, J2.871.955H, Benzoic acid, 2-(dibromomethyl)-, methyl ester
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.89 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.8891 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 90537-01-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(Br)Br |
| InChIKey | SQIXJMQFTRBFKU-UHFFFAOYSA-N |
Product Overview
Methyl 2-(dibromomethyl)benzoate (CAS 90537-01-2), with molecular formula C9H8Br2O2 and molecular weight 305.89 g/mol. IUPAC: methyl 2-(dibromomethyl)benzoate.
Chemical Property Profile of Methyl 2-(dibromomethyl)benzoate
Property Insights of Methyl 2-(dibromomethyl)benzoate
The XLogP value of 3.8 indicates that Methyl 2-(dibromomethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(dibromomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(dibromomethyl)benzoate has 0 hydrogen bond donor(s) and 2 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 Methyl 2-(dibromomethyl)benzoate?
The CAS number of Methyl 2-(dibromomethyl)benzoate is 90537-01-2.
What is the molecular formula of Methyl 2-(dibromomethyl)benzoate?
The molecular formula of Methyl 2-(dibromomethyl)benzoate is C9H8Br2O2.
What is the molecular weight of Methyl 2-(dibromomethyl)benzoate?
The molecular weight of Methyl 2-(dibromomethyl)benzoate is 305.89 g/mol.
Where can I buy Methyl 2-(dibromomethyl)benzoate?
You can request a quote for Methyl 2-(dibromomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(dibromomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(dibromomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.