ChemDiv1_001800
TL;DR: ChemDiv1_001800 (CAS 352563-17-8) is a chemical compound with molecular formula C18H16ClNO5 and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl)benzoate
Also Known As: ChemDiv1_001800, BAS 00732146, AB00093023-01, AH-487/37146012, methyl 2-chloro-5-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoate
| Molecular Formula | C18H16ClNO5 |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.3496 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.0717 |
| Heavy Atoms | 25 |
| Complexity | 829.02246 |
Chemical Identifiers
| CAS Number | 352563-17-8 |
|---|---|
| SMILES | CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)OC)C |
Product Overview
ChemDiv1_001800 (CAS 352563-17-8), with molecular formula C18H16ClNO5 and molecular weight 361.07 g/mol. IUPAC: methyl 2-chloro-5-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl)benzoate.
Chemical Property Profile of ChemDiv1_001800
Property Insights of ChemDiv1_001800
The XLogP value of 2.3496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001800. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001800. Following Lipinski's Rule of Five, ChemDiv1_001800 has 0 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_001800?
The CAS number of ChemDiv1_001800 is 352563-17-8.
What is the molecular formula of ChemDiv1_001800?
The molecular formula of ChemDiv1_001800 is C18H16ClNO5.
What is the molecular weight of ChemDiv1_001800?
The molecular weight of ChemDiv1_001800 is 361.07 g/mol.
Where can I buy ChemDiv1_001800?
You can request a quote for ChemDiv1_001800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001800?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.