7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
TL;DR: 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate (CAS 4790-92-5) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Also Known As: Niagara 10559, FMC 10559, ENT 27,382, AI3-27382, 4-Chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl methylcarbamate
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 4790-92-5 |
|---|---|
| SMILES | CC1(CC2=C(C=CC(=C2O1)OC(=O)NC)Cl)C |
| InChIKey | ZUIXATGNVPEOAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate (CAS 4790-92-5), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: (4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate.
Chemical Property Profile of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
Property Insights of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate. With a topological polar surface area (TPSA) of 47.6 Ų, 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, 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, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The CAS number of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate is 4790-92-5.
What is the molecular formula of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The molecular formula of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate is C12H14ClNO3.
What is the molecular weight of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The molecular weight of 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate is 255.07 g/mol.
Where can I buy 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate?
You can request a quote for 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, 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, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzofuranol, 4-chloro-2,3-dihydro-2,2-dimethyl-, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.