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Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate
TL;DR: Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate (CAS 335397-44-9) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2-methylpentanoylamino)benzene-1,3-dicarboxylate
Also Known As: BAS 02256607, dimethyl 5-(2-methylpentanamido)isophthalate, AB00103140-01, dimethyl 5-[(2-methylpentanoyl)amino]isophthalate, 5-(2-Methyl-pentanoylamino)-isophthalic acid dimethyl ester
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.6345 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 533.40466 |
Chemical Identifiers
| CAS Number | 335397-44-9 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate (CAS 335397-44-9), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: dimethyl 5-(2-methylpentanoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate
Property Insights of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate
The XLogP value of 2.6345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-[(2-methylpentanoyl)amino]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-[(2-methylpentanoyl)amino]isophthalate?
The CAS number of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate is 335397-44-9.
What is the molecular formula of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate?
The molecular formula of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate is C16H21NO5.
What is the molecular weight of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate?
The molecular weight of Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate is 307.14 g/mol.
Where can I buy Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate?
You can request a quote for Dimethyl 5-[(2-methylpentanoyl)amino]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-[(2-methylpentanoyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-[(2-methylpentanoyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.