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Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate
TL;DR: Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate (CAS 349415-40-3) is a chemical compound with molecular formula C18H15NO7 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(1,3-benzodioxole-5-carbonylamino)benzene-1,3-dicarboxylate
Also Known As: BAS 01129777, BIM-0028698.P001, dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate, DIMETHYL 5-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ISOPHTHALATE, 5-[(Benzo[1,3]dioxole-5-carbonyl)-amino]-isophthalic acid dimethyl ester
| Molecular Formula | C18H15NO7 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.2408 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.08484 |
| Heavy Atoms | 26 |
| Complexity | 856.8535 |
Chemical Identifiers
| CAS Number | 349415-40-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC |
Product Overview
Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate (CAS 349415-40-3), with molecular formula C18H15NO7 and molecular weight 357.08 g/mol. IUPAC: dimethyl 5-(1,3-benzodioxole-5-carbonylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate
Property Insights of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate
The XLogP value of 2.2408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate has 1 hydrogen bond donor(s) and 7 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-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate?
The CAS number of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate is 349415-40-3.
What is the molecular formula of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate?
The molecular formula of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate is C18H15NO7.
What is the molecular weight of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate?
The molecular weight of Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate is 357.08 g/mol.
Where can I buy Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate?
You can request a quote for Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)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-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(benzo[d][1,3]dioxole-5-carboxamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.