ZERO/005248
TL;DR: ZERO/005248 (CAS 1005061-31-3) is a chemical compound with molecular formula C16H14FNO4 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: ZERO/005248, 2-(4-fluorobenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, AM-760/42986007, 3-[(4-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(4-fluorobenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
| Molecular Formula | C16H14FNO4 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 1.1923 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0907 |
| Heavy Atoms | 22 |
| Complexity | 685.8912 |
Chemical Identifiers
| CAS Number | 1005061-31-3 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=C(C=C4)F)C(=O)O |
Product Overview
ZERO/005248 (CAS 1005061-31-3), with molecular formula C16H14FNO4 and molecular weight 303.09 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of ZERO/005248
Property Insights of ZERO/005248
The XLogP value of 1.1923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005248. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/005248. Following Lipinski's Rule of Five, ZERO/005248 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 ZERO/005248?
The CAS number of ZERO/005248 is 1005061-31-3.
What is the molecular formula of ZERO/005248?
The molecular formula of ZERO/005248 is C16H14FNO4.
What is the molecular weight of ZERO/005248?
The molecular weight of ZERO/005248 is 303.09 g/mol.
Where can I buy ZERO/005248?
You can request a quote for ZERO/005248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/005248?
Yes, KEHONG BIO provides custom synthesis services for ZERO/005248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.