ZERO/005259
TL;DR: ZERO/005259 (CAS 1087749-08-3) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: ZERO/005259, 2-(2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-(2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0(1),]dec-8-ene-6-carboxylic acid, 3-(2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0(1),?]dec-8-ene-6-carboxylic acid
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.0748 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 759.4477 |
Chemical Identifiers
| CAS Number | 1087749-08-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O)OC |
Product Overview
ZERO/005259 (CAS 1087749-08-3), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: 3-(2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of ZERO/005259
Property Insights of ZERO/005259
The XLogP value of 1.0748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005259. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/005259. Following Lipinski's Rule of Five, ZERO/005259 has 1 hydrogen bond donor(s) and 5 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/005259?
The CAS number of ZERO/005259 is 1087749-08-3.
What is the molecular formula of ZERO/005259?
The molecular formula of ZERO/005259 is C17H17NO6.
What is the molecular weight of ZERO/005259?
The molecular weight of ZERO/005259 is 331.11 g/mol.
Where can I buy ZERO/005259?
You can request a quote for ZERO/005259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/005259?
Yes, KEHONG BIO provides custom synthesis services for ZERO/005259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.