7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)
TL;DR: 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) (CAS 4785-72-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Also Known As: Niagara 10586, FMC 10586, NIAGARA 10568, ENT 27,383, AI3-27383
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 4785-72-2 |
|---|---|
| SMILES | CC1=C2CC(OC2=C(C=C1)OC(=O)NC)(C)C |
| InChIKey | FMGLKNCPXAFVRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) (CAS 4785-72-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2,2,4-trimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.
Chemical Property Profile of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)
Property Insights of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate). With a topological polar surface area (TPSA) of 47.6 Ų, 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) has 1 hydrogen bond donor(s) and 3 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 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)?
The CAS number of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) is 4785-72-2.
What is the molecular formula of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)?
The molecular formula of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) is C13H17NO3.
What is the molecular weight of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)?
The molecular weight of 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) is 235.12 g/mol.
Where can I buy 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)?
You can request a quote for 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzofuranol, 2,3-dihydro-2,2,4-trimethyl-, 7-(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.