Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate (CAS 519003-73-7) 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-(butanoylamino)benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-butyramidoisophthalate, dimethyl 5-(butyrylamino)isophthalate, dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate, AO-548/12717070, methyl 5-(butanoylamino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.9984 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 490.0456 |
Chemical Identifiers
| CAS Number | 519003-73-7 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate (CAS 519003-73-7), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate
The XLogP value of 1.9984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate 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-(butanoylamino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate is 519003-73-7.
What is the molecular formula of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate is C14H17NO5.
What is the molecular weight of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate is 279.11 g/mol.
Where can I buy Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(butanoylamino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.