(2-fluoro-5-nitrophenyl)methan-1-ol
TL;DR: (2-fluoro-5-nitrophenyl)methan-1-ol (CAS 64044-51-5) is a chemical compound with molecular formula C28H38N4O6 and molecular weight 526.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(diethylamino)ethyl] 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylate
Also Known As: (2-fluoro-5-nitrophenyl)methan-1-ol, bis[2-(diethylamino)ethyl] 2-amino-4,6-dimethyl-3-oxo-3h-phenoxazine-1,9-dicarboxylate, bis[2-(diethylamino)ethyl] 2-amino-4,6-dimethyl-3-oxophenoxa, BIS(2-DIETHYLAMINOETHYL) 2-AMINO-4,6-DIMETHYL-3-OXO-PHENOXAZINE-1,9-DICARBOXYLATE, bis(2-diethylaminoethyl) 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylate
| Molecular Formula | C28H38N4O6 |
|---|---|
| Molecular Weight | 526.28 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 526.2791 |
| Heavy Atoms | 38 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 64044-51-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C2C(=C(C=C1)C)OC3=C(C(=O)C(=C(C3=N2)C(=O)OCCN(CC)CC)N)C |
| InChIKey | XNGJLDOCTPZNFD-UHFFFAOYSA-N |
Product Overview
(2-fluoro-5-nitrophenyl)methan-1-ol (CAS 64044-51-5), with molecular formula C28H38N4O6 and molecular weight 526.28 g/mol. IUPAC: bis[2-(diethylamino)ethyl] 2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxylate.
Chemical Property Profile of (2-fluoro-5-nitrophenyl)methan-1-ol
Property Insights of (2-fluoro-5-nitrophenyl)methan-1-ol
The XLogP value of 3.8 indicates that (2-fluoro-5-nitrophenyl)methan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-fluoro-5-nitrophenyl)methan-1-ol. Following Lipinski's Rule of Five, (2-fluoro-5-nitrophenyl)methan-1-ol has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-fluoro-5-nitrophenyl)methan-1-ol?
The CAS number of (2-fluoro-5-nitrophenyl)methan-1-ol is 64044-51-5.
What is the molecular formula of (2-fluoro-5-nitrophenyl)methan-1-ol?
The molecular formula of (2-fluoro-5-nitrophenyl)methan-1-ol is C28H38N4O6.
What is the molecular weight of (2-fluoro-5-nitrophenyl)methan-1-ol?
The molecular weight of (2-fluoro-5-nitrophenyl)methan-1-ol is 526.28 g/mol.
Where can I buy (2-fluoro-5-nitrophenyl)methan-1-ol?
You can request a quote for (2-fluoro-5-nitrophenyl)methan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-fluoro-5-nitrophenyl)methan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for (2-fluoro-5-nitrophenyl)methan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.