ZERO/005244
TL;DR: ZERO/005244 (CAS 1005262-38-3) is a chemical compound with molecular formula C17H16ClNO6 and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: ZERO/005244, 2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, (6R,7S,7aR)-2-(5-chloro-2,4-dimethoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0(1),?]dec-8-ene-6-carboxylic acid, 3-(5-chloro-2,4-dimethoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0(1),]dec-8-ene-6-carboxylic acid
| Molecular Formula | C17H16ClNO6 |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.06662 |
| Heavy Atoms | 25 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 1005262-38-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N2CC34C=CC(O3)C(C4C2=O)C(=O)O)Cl)OC |
| InChIKey | AFQKCAKHRSIRMH-UHFFFAOYSA-N |
Product Overview
ZERO/005244 (CAS 1005262-38-3), with molecular formula C17H16ClNO6 and molecular weight 365.07 g/mol. IUPAC: 3-(5-chloro-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/005244
Property Insights of ZERO/005244
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005244. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/005244. Following Lipinski's Rule of Five, ZERO/005244 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 ZERO/005244?
The CAS number of ZERO/005244 is 1005262-38-3.
What is the molecular formula of ZERO/005244?
The molecular formula of ZERO/005244 is C17H16ClNO6.
What is the molecular weight of ZERO/005244?
The molecular weight of ZERO/005244 is 365.07 g/mol.
Where can I buy ZERO/005244?
You can request a quote for ZERO/005244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/005244?
Yes, KEHONG BIO provides custom synthesis services for ZERO/005244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.