3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester
TL;DR: 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester (CAS 114931-12-3) is a chemical compound with molecular formula C17H24ClNO3 and molecular weight 325.14447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(dimethylamino)-2,2-dimethylpropyl] 3-methyl-1-benzofuran-2-carboxylate;hydrochloride
Also Known As: 3-(dimethylamino)-2,2-dimethylpropyl 3-methylbenzofuran-2-carboxylate hydrochloride, [3-(dimethylamino)-2,2-dimethylpropyl] 3-methyl-1-benzofuran-2-carboxylate hydrochloride, 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester, REGID_for_CID_6603170
Technical Specifications
| Molecular Formula | C17H24ClNO3 |
| Molecular Weight | 325.14447 g/mol |
| XLogP | 3.90762 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.14447 Da |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)OCC(C)(C)CN(C)C.Cl |
| InChIKey | CQSCUVVRTHBRNF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester
Property Insights of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester
The XLogP value of 3.90762 indicates that 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester?
The CAS number of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester is 114931-12-3.
What is the molecular formula of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester?
The molecular formula of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester is C17H24ClNO3.
What is the molecular weight of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester?
The molecular weight of 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester is 325.14447 g/mol.
Where can I buy 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester?
You can request a quote for 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-2,2-dimethyl-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.