7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate
TL;DR: 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate (CAS 4790-88-9) 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-dimethyl-3H-1-benzofuran-7-yl) N,N-dimethylcarbamate
Also Known As: 7-BENZOFURANOL, 2,3-DIHYDRO-2,2-DIMETHYL-, DIMETHYLCARBAMATE, 2,2-Dimethyl-2,3-dihydro-7-benzofuranyl-N,N-dimethylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N,N-dimethylcarbamate, Carbamic acid, dimethyl-, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester, 2,2-Dimethyl-2,3-dihydro-1-benzo[b]furan-7-yl dimethylcarbamate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 4790-88-9 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C)C |
| InChIKey | MITWTLRVHJJPSO-UHFFFAOYSA-N |
Product Overview
7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate (CAS 4790-88-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N,N-dimethylcarbamate.
Chemical Property Profile of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate
Property Insights of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate. With a topological polar surface area (TPSA) of 38.8 Ų, 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate has 0 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-dimethyl-, dimethylcarbamate?
The CAS number of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate is 4790-88-9.
What is the molecular formula of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate?
The molecular formula of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate is C13H17NO3.
What is the molecular weight of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate?
The molecular weight of 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate is 235.12 g/mol.
Where can I buy 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate?
You can request a quote for 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate 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-dimethyl-, dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.