![[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate structure](/static/products/3916/391633-37-7.webp)
[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate
TL;DR: [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate (CAS 391633-37-7) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 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] 2,5-dimethylbenzoate
Also Known As: AB00713894-01, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate, F6609-3242, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,5-dimethylbenzoate, 2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl 2,5-dimethylbenzoate
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.82764 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 799.9913 |
Chemical Identifiers
| CAS Number | 391633-37-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate (CAS 391633-37-7), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,5-dimethylbenzoate.
Chemical Property Profile of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate
Property Insights of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate
The XLogP value of 2.82764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate. 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 2,5-dimethylbenzoate. Following Lipinski's Rule of Five, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate 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 2,5-dimethylbenzoate?
The CAS number of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate is 391633-37-7.
What is the molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate?
The molecular formula of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate is C18H17NO5.
What is the molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate?
The molecular weight of [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate is 327.11 g/mol.
Where can I buy [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate?
You can request a quote for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate 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 2,5-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2,5-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.