Carbamic acid, dimethyl-, 4-amino-o-phenylene ester
TL;DR: Carbamic acid, dimethyl-, 4-amino-o-phenylene ester (CAS 63884-64-0) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Also Known As: Dimethylcarbamic acid 4-amino-o-phenylene ester, Benzene, 1,2-bis(dimethylcarbamyloxy)-4-amino-, CARBAMIC ACID, DIMETHYL-, 4-AMINO-o-PHENYLENE ESTER, 4-Amino-1,2-phenylene bis(dimethylcarbamate), Carbamic acid, dimethyl-, 4-amino-1,2-phenylene ester
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 63884-64-0 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C(C=C(C=C1)N)OC(=O)N(C)C |
| InChIKey | PGJQQVXPPNJHHF-UHFFFAOYSA-N |
Product Overview
Carbamic acid, dimethyl-, 4-amino-o-phenylene ester (CAS 63884-64-0), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: [4-amino-2-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester
Property Insights of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, dimethyl-, 4-amino-o-phenylene ester. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, dimethyl-, 4-amino-o-phenylene ester. Following Lipinski's Rule of Five, Carbamic acid, dimethyl-, 4-amino-o-phenylene ester 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 Carbamic acid, dimethyl-, 4-amino-o-phenylene ester?
The CAS number of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester is 63884-64-0.
What is the molecular formula of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester?
The molecular formula of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester is C12H17N3O4.
What is the molecular weight of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester?
The molecular weight of Carbamic acid, dimethyl-, 4-amino-o-phenylene ester is 267.12 g/mol.
Where can I buy Carbamic acid, dimethyl-, 4-amino-o-phenylene ester?
You can request a quote for Carbamic acid, dimethyl-, 4-amino-o-phenylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, dimethyl-, 4-amino-o-phenylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dimethyl-, 4-amino-o-phenylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.