2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester
TL;DR: 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester (CAS 14094-60-1) is a chemical compound with molecular formula C12H13BrO5 and molecular weight 315.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(bromomethyl)-5-methoxybenzene-1,3-dicarboxylate
Also Known As: 2-bromomethyl-5-methoxy-isophthalic acid dimethyl ester, Dimethyl 2-(bromomethyl)-5-methoxy-benzene-1,3-dicarboxylate, dimethyl 2-(bromomethyl)-5-methoxybenzene-1,3-dicarboxylate
| Molecular Formula | C12H13BrO5 |
|---|---|
| Molecular Weight | 315.99 g/mol |
| LogP | 2.1633 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.99463 |
| Heavy Atoms | 18 |
| Complexity | 432.53073 |
Chemical Identifiers
| CAS Number | 14094-60-1 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)C(=O)OC)CBr)C(=O)OC |
Product Overview
2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester (CAS 14094-60-1), with molecular formula C12H13BrO5 and molecular weight 315.99 g/mol. IUPAC: dimethyl 2-(bromomethyl)-5-methoxybenzene-1,3-dicarboxylate.
Chemical Property Profile of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester
Property Insights of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester
The XLogP value of 2.1633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester. Following Lipinski's Rule of Five, 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester has 0 hydrogen bond donor(s) and 5 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 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester?
The CAS number of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester is 14094-60-1.
What is the molecular formula of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester?
The molecular formula of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester is C12H13BrO5.
What is the molecular weight of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester?
The molecular weight of 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester is 315.99 g/mol.
Where can I buy 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester?
You can request a quote for 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromomethyl-5-methoxy-isophthalic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.