1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate
TL;DR: 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate (CAS 52818-93-6) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-dihydroinden-5-yl) N-methylcarbamate
Also Known As: 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate, 2,3-Dihydro-2,2-dimethyl-1H-inden-5-ol methylcarbamate, (2,2-dimethyl-1,3-dihydroinden-5-yl) N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1H-inden-5-yl methylcarbamate, BRN 2331760
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.5296 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 423.94083 |
Chemical Identifiers
| CAS Number | 52818-93-6 |
|---|---|
| SMILES | CC1(CC2=C(C1)C=C(C=C2)OC(=O)NC)C |
Product Overview
1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate (CAS 52818-93-6), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: (2,2-dimethyl-1,3-dihydroinden-5-yl) N-methylcarbamate.
Chemical Property Profile of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate
Property Insights of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate
The XLogP value of 2.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate has 1 hydrogen bond donor(s) and 2 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 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The CAS number of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate is 52818-93-6.
What is the molecular formula of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The molecular formula of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate is C13H17NO2.
What is the molecular weight of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate?
The molecular weight of 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate is 219.13 g/mol.
Where can I buy 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate?
You can request a quote for 1H-Inden-5-ol, 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 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Inden-5-ol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.