N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid
TL;DR: N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid (CAS 76267-00-0) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamoyl-3-methyl-1-(2-methyl-1,3-benzodioxol-5-yl)urea
Also Known As: 1,3-Dimethyl-5-(1,3-benzodioxol-5-yl)biuret, N-1,3-Benzodioxol-5-yl-N',2-dimethylimidodicarbonic diamide, Imidodicarbonic diamide, N-1,3-benzodioxol-5-yl-N',2-dimethyl-, N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid, 1-carbamoyl-3-methyl-1-(2-methyl-1,3-benzodioxol-5-yl)urea
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 1.0283 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 503.06174 |
Chemical Identifiers
| CAS Number | 76267-00-0 |
|---|---|
| SMILES | CC1OC2=C(O1)C=C(C=C2)N(C(=O)N)C(=O)NC |
Product Overview
N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid (CAS 76267-00-0), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: 1-carbamoyl-3-methyl-1-(2-methyl-1,3-benzodioxol-5-yl)urea.
Chemical Property Profile of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid
Property Insights of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid
The XLogP value of 1.0283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid. Following Lipinski's Rule of Five, N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid has 2 hydrogen bond donor(s) and 4 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 N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid?
The CAS number of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid is 76267-00-0.
What is the molecular formula of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid?
The molecular formula of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid is C11H13N3O4.
What is the molecular weight of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid?
The molecular weight of N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid is 251.09 g/mol.
Where can I buy N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid?
You can request a quote for N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-(2-methyl-2H-1,3-benzodioxol-5-yl)triimidodicarbonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.