Carbamic acid, 2,5-xylyl ester
TL;DR: Carbamic acid, 2,5-xylyl ester (CAS 110047-13-7) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dimethylphenyl) carbamate
Also Known As: 2,5-Dimethylphenyl carbamate, 2,5-Xylyl ester of carbamic acid, (2,5-dimethylphenyl) carbamate, CARBAMIC ACID, 2,5-XYLYL ESTER, (2.5-Dimethyl-phenyl)-carbamat
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)N |
| InChIKey | MDSWSNBMVSKNHN-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, 2,5-xylyl ester
Property Insights of Carbamic acid, 2,5-xylyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 2,5-xylyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Carbamic acid, 2,5-xylyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 2,5-xylyl ester has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, 2,5-xylyl ester?
The CAS number of Carbamic acid, 2,5-xylyl ester is 110047-13-7.
What is the molecular formula of Carbamic acid, 2,5-xylyl ester?
The molecular formula of Carbamic acid, 2,5-xylyl ester is C9H11NO2.
What is the molecular weight of Carbamic acid, 2,5-xylyl ester?
The molecular weight of Carbamic acid, 2,5-xylyl ester is 165.07898 g/mol.
Where can I buy Carbamic acid, 2,5-xylyl ester?
You can request a quote for Carbamic acid, 2,5-xylyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, 2,5-xylyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, 2,5-xylyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.