Dimethyl 2-(isobutyrylamino)terephthalate
TL;DR: Dimethyl 2-(isobutyrylamino)terephthalate (CAS 330469-37-9) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2-methylpropanoylamino)benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(isobutyrylamino)terephthalate, dimethyl 2-isobutyramidoterephthalate, BAS 00628590, 2-Isobutyrylamino-terephthalic acid dimethyl ester, dimethyl 2-(2-methylpropanoylamino)benzene-1,4-dicarboxylate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 330469-37-9 |
|---|---|
| SMILES | CC(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | JGXACYSHZGCCEV-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(isobutyrylamino)terephthalate (CAS 330469-37-9), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: dimethyl 2-(2-methylpropanoylamino)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(isobutyrylamino)terephthalate
Property Insights of Dimethyl 2-(isobutyrylamino)terephthalate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(isobutyrylamino)terephthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(isobutyrylamino)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(isobutyrylamino)terephthalate 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
Frequently Asked Questions
What is the CAS number of Dimethyl 2-(isobutyrylamino)terephthalate?
The CAS number of Dimethyl 2-(isobutyrylamino)terephthalate is 330469-37-9.
What is the molecular formula of Dimethyl 2-(isobutyrylamino)terephthalate?
The molecular formula of Dimethyl 2-(isobutyrylamino)terephthalate is C14H17NO5.
What is the molecular weight of Dimethyl 2-(isobutyrylamino)terephthalate?
The molecular weight of Dimethyl 2-(isobutyrylamino)terephthalate is 279.11 g/mol.
Where can I buy Dimethyl 2-(isobutyrylamino)terephthalate?
You can request a quote for Dimethyl 2-(isobutyrylamino)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(isobutyrylamino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(isobutyrylamino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.