Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate
TL;DR: Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate (CAS 7395-62-2) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-methyl-3-pyrrolidin-1-ylbenzene-1,2-dicarboxylate
Also Known As: dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate, AN-970/40920777, dimethyl 5-methyl-3-pyrrolidin-1-ylbenzene-1,2-dicarboxylate
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.16842 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 532.9202 |
Chemical Identifiers
| CAS Number | 7395-62-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)N2CCCC2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate (CAS 7395-62-2), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: dimethyl 5-methyl-3-pyrrolidin-1-ylbenzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate
Property Insights of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate
The XLogP value of 2.16842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate. With a topological polar surface area (TPSA) of 55.84 Ų, Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate 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 Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate?
The CAS number of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate is 7395-62-2.
What is the molecular formula of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate?
The molecular formula of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate is C15H19NO4.
What is the molecular weight of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate?
The molecular weight of Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate is 277.13 g/mol.
Where can I buy Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate?
You can request a quote for Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-methyl-3-(1-pyrrolidinyl)phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.