9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate
TL;DR: 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate (CAS 445221-92-1) is a chemical compound with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9H-fluoren-9-ylmethyl N-(3-bromo-4,5-dihydro-1,2-oxazol-4-yl)carbamate
Also Known As: Carbamicacid, -,9H-fluoren-9-ylmethylester, 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate, Carbamic acid, (3-bromo-4,5-dihydro-4-isoxazolyl)-, 9H-fluoren-9-ylmethyl ester (9CI), 9H-fluoren-9-ylmethyl N-(3-bromo-4,5-dihydro-1,2-oxazol-4-yl)carbamate
| Molecular Formula | C18H15BrN2O3 |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 3.6323 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.0266 |
| Heavy Atoms | 24 |
| Complexity | 775.9161 |
Chemical Identifiers
| CAS Number | 445221-92-1 |
|---|---|
| SMILES | C1C(C(=NO1)Br)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
Product Overview
9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate (CAS 445221-92-1), with molecular formula C18H15BrN2O3 and molecular weight 386.03 g/mol. IUPAC: 9H-fluoren-9-ylmethyl N-(3-bromo-4,5-dihydro-1,2-oxazol-4-yl)carbamate.
Chemical Property Profile of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate
Property Insights of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate
The XLogP value of 3.6323 indicates that 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate has 1 hydrogen bond donor(s) and 4 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 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate?
The CAS number of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate is 445221-92-1.
What is the molecular formula of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate?
The molecular formula of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate is C18H15BrN2O3.
What is the molecular weight of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate?
The molecular weight of 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate is 386.03 g/mol.
Where can I buy 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate?
You can request a quote for 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 9H-fluoren-9-ylmethyl 3-bromo-4,5-dihydro-4-isoxazolylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.