12T-0223
TL;DR: 12T-0223 (CAS 860786-20-5) is a chemical compound with molecular formula C17H13IN2O6 and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 4-iodobenzoate
Also Known As: 12T-0223, 2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 4-iodobenzoate, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 4-iodobenzenecarboxylate, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl 4-iodobenzoate, 2-(7-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethyl4-iodobenzoate
| Molecular Formula | C17H13IN2O6 |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | 3.146 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.98184 |
| Heavy Atoms | 26 |
| Complexity | 868.0569 |
Chemical Identifiers
| CAS Number | 860786-20-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCC2C(=O)NC3=C(O2)C=C(C=C3)[N+](=O)[O-])I |
Product Overview
12T-0223 (CAS 860786-20-5), with molecular formula C17H13IN2O6 and molecular weight 467.98 g/mol. IUPAC: 2-(7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)ethyl 4-iodobenzoate.
Chemical Property Profile of 12T-0223
Property Insights of 12T-0223
The XLogP value of 3.146 indicates that 12T-0223 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 12T-0223. Following Lipinski's Rule of Five, 12T-0223 has 1 hydrogen bond donor(s) and 6 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 12T-0223?
The CAS number of 12T-0223 is 860786-20-5.
What is the molecular formula of 12T-0223?
The molecular formula of 12T-0223 is C17H13IN2O6.
What is the molecular weight of 12T-0223?
The molecular weight of 12T-0223 is 467.98 g/mol.
Where can I buy 12T-0223?
You can request a quote for 12T-0223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12T-0223?
Yes, KEHONG BIO provides custom synthesis services for 12T-0223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.