2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯
TL;DR: 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 (CAS 4790-87-8) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯
(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate
Also Known As: 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl carbamate, 7-BENZOFURANOL, 2,3-DIHYDRO-2,2-DIMETHYL-, CARBAMATE (ester), 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl carbamate, Carbamic acid, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4790-87-8 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N)C |
| InChIKey | QTBBEJJXBYGFAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 (CAS 4790-87-8), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate.
Chemical Property Profile of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯
Property Insights of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯. Following Lipinski's Rule of Five, 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 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 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯?
The CAS number of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 is 4790-87-8.
What is the molecular formula of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯?
The molecular formula of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 is C11H13NO3.
What is the molecular weight of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯?
The molecular weight of 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 is 207.09 g/mol.
Where can I buy 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯?
You can request a quote for 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-2,2-二甲基-7-苯并呋喃基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.