Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester
TL;DR: Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester (CAS 98991-89-0) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl N-tert-butylcarbamate
Also Known As: (5-benzyl-3-furyl)methyl N-tert-butylcarbamate, (5-Benzylfuran-3-yl)methyl tert-butylcarbamate, (5-benzylfuran-3-yl)methyl N-tert-butylcarbamate, Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 98991-89-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OCC1=COC(=C1)CC2=CC=CC=C2 |
| InChIKey | LRSMCFAVIGRFOI-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester (CAS 98991-89-0), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl N-tert-butylcarbamate.
Chemical Property Profile of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester
Property Insights of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester
The XLogP value of 4.1 indicates that Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester 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 Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester?
The CAS number of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester is 98991-89-0.
What is the molecular formula of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester?
The molecular formula of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester is C17H21NO3.
What is the molecular weight of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester?
The molecular weight of Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester is 287.15 g/mol.
Where can I buy Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester?
You can request a quote for Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (1,1-dimethylethyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.