Pyrocatechol bis(methylcarbamate)
TL;DR: Pyrocatechol bis(methylcarbamate) (CAS 18315-57-6) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(methylcarbamoyloxy)phenyl] N-methylcarbamate
Also Known As: Methylcarbamic acid o-phenylene ester, Pyrocatechol bis(methylcarbamate), 1,2-Benzenediol, bis(methylcarbamate), Benzene, 1,2-bis(methylcarbamyloxy)-, CARBAMIC ACID, METHYL-, o-PHENYLENE ESTER
Technical Specifications
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.07971 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | CNC(=O)OC1=CC=CC=C1OC(=O)NC |
| InChIKey | ZMXFHFXBXBQKOI-UHFFFAOYSA-N |
Chemical Property Profile of Pyrocatechol bis(methylcarbamate)
Property Insights of Pyrocatechol bis(methylcarbamate)
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrocatechol bis(methylcarbamate). The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrocatechol bis(methylcarbamate). Following Lipinski's Rule of Five, Pyrocatechol bis(methylcarbamate) 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
What is the CAS number of Pyrocatechol bis(methylcarbamate)?
The CAS number of Pyrocatechol bis(methylcarbamate) is 18315-57-6.
What is the molecular formula of Pyrocatechol bis(methylcarbamate)?
The molecular formula of Pyrocatechol bis(methylcarbamate) is C10H12N2O4.
What is the molecular weight of Pyrocatechol bis(methylcarbamate)?
The molecular weight of Pyrocatechol bis(methylcarbamate) is 224.07971 g/mol.
Where can I buy Pyrocatechol bis(methylcarbamate)?
You can request a quote for Pyrocatechol bis(methylcarbamate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrocatechol bis(methylcarbamate)?
Yes, CoreyChem provides custom synthesis services for Pyrocatechol bis(methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.