Dimethyl 5-(isobutyrylamino)isophthalate
TL;DR: Dimethyl 5-(isobutyrylamino)isophthalate (CAS 349130-07-0) 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 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(isobutyrylamino)isophthalate, dimethyl 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylate, AO-548/11635861, 1,3-dimethyl 5-(2-methylpropanamido)benzene-1,3-dicarboxylate, dimethyl 5-[(2-methylpropanoyl)amino]benzene-1,3-dicarboxylate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.8 |
| 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 | 356.0 |
Chemical Identifiers
| CAS Number | 349130-07-0 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | UYWOLZNANPZADP-UHFFFAOYSA-N |
Product Overview
Dimethyl 5-(isobutyrylamino)isophthalate (CAS 349130-07-0), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: dimethyl 5-(2-methylpropanoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(isobutyrylamino)isophthalate
Property Insights of Dimethyl 5-(isobutyrylamino)isophthalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(isobutyrylamino)isophthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(isobutyrylamino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(isobutyrylamino)isophthalate 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 5-(isobutyrylamino)isophthalate?
The CAS number of Dimethyl 5-(isobutyrylamino)isophthalate is 349130-07-0.
What is the molecular formula of Dimethyl 5-(isobutyrylamino)isophthalate?
The molecular formula of Dimethyl 5-(isobutyrylamino)isophthalate is C14H17NO5.
What is the molecular weight of Dimethyl 5-(isobutyrylamino)isophthalate?
The molecular weight of Dimethyl 5-(isobutyrylamino)isophthalate is 279.11 g/mol.
Where can I buy Dimethyl 5-(isobutyrylamino)isophthalate?
You can request a quote for Dimethyl 5-(isobutyrylamino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(isobutyrylamino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(isobutyrylamino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.