![[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate structure](/static/products/3873/387368-83-4.webp)
[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate
TL;DR: [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate (CAS 387368-83-4) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylbenzoate
Also Known As: [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate|AB00740664-01|[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylbenzoate|F6609-3652|2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl 2-methylbenzoate|2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl 2-methylbenzoate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.51922 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 756.399 |
Chemical Identifiers
| CAS Number | 387368-83-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate (CAS 387368-83-4), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methylbenzoate.
Chemical Property Profile of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate
Property Insights of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate
The XLogP value of 2.51922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate. Following Lipinski's Rule of Five, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate 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 [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate?
The CAS number of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate is 387368-83-4.
What is the molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate?
The molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate is C17H15NO5.
What is the molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate?
The molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate is 313.10 g/mol.
Where can I buy [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate?
You can request a quote for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.