ChemDiv1_003304
TL;DR: ChemDiv1_003304 (CAS 167018-65-7) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid
Also Known As: ChemDiv1_003304, BAS 00465252, 3,5-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid, 3,5-bis(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoic acid, 3,5-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoic acid
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 2.0078 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1117.0967 |
Chemical Identifiers
| CAS Number | 167018-65-7 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)N5C(=O)C6C7CC(C6C5=O)C=C7 |
Product Overview
ChemDiv1_003304 (CAS 167018-65-7), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: 3,5-bis(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid.
Chemical Property Profile of ChemDiv1_003304
Property Insights of ChemDiv1_003304
The XLogP value of 2.0078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003304. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003304. Following Lipinski's Rule of Five, ChemDiv1_003304 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 ChemDiv1_003304?
The CAS number of ChemDiv1_003304 is 167018-65-7.
What is the molecular formula of ChemDiv1_003304?
The molecular formula of ChemDiv1_003304 is C25H20N2O6.
What is the molecular weight of ChemDiv1_003304?
The molecular weight of ChemDiv1_003304 is 444.13 g/mol.
Where can I buy ChemDiv1_003304?
You can request a quote for ChemDiv1_003304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003304?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.