3-(Dimethylamino)phenyl methyl carbonate
TL;DR: 3-(Dimethylamino)phenyl methyl carbonate (CAS 54644-48-3) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylamino)phenyl] methyl carbonate
Also Known As: 3-(Dimethylamino)phenyl methyl carbonate, [3-(dimethylamino)phenyl] methyl carbonate, 3-(Dimethylamino)phenyl methyl carbonate #, Carbonic acid 3-dimethylaminophenyl(methyl) ester, Carbonic acid, 3-(dimethylamino)phenyl methyl ester
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 54644-48-3 |
|---|---|
| SMILES | CN(C)C1=CC(=CC=C1)OC(=O)OC |
| InChIKey | PQWKERBYLCLADP-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)phenyl methyl carbonate (CAS 54644-48-3), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: [3-(dimethylamino)phenyl] methyl carbonate.
Chemical Property Profile of 3-(Dimethylamino)phenyl methyl carbonate
Property Insights of 3-(Dimethylamino)phenyl methyl carbonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)phenyl methyl carbonate. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(Dimethylamino)phenyl methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)phenyl methyl carbonate has 0 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 3-(Dimethylamino)phenyl methyl carbonate?
The CAS number of 3-(Dimethylamino)phenyl methyl carbonate is 54644-48-3.
What is the molecular formula of 3-(Dimethylamino)phenyl methyl carbonate?
The molecular formula of 3-(Dimethylamino)phenyl methyl carbonate is C10H13NO3.
What is the molecular weight of 3-(Dimethylamino)phenyl methyl carbonate?
The molecular weight of 3-(Dimethylamino)phenyl methyl carbonate is 195.09 g/mol.
Where can I buy 3-(Dimethylamino)phenyl methyl carbonate?
You can request a quote for 3-(Dimethylamino)phenyl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)phenyl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)phenyl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.