ChemDiv1_023759
TL;DR: ChemDiv1_023759 (CAS 313507-38-9) is a chemical compound with molecular formula C29H20ClNO7 and molecular weight 529.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
Also Known As: ChemDiv1_023759, BAS 00619973, ethyl 4-[3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3',3a,4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl]benzoate, ethyl 4-(3-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate, ethyl 4-[1-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
| Molecular Formula | C29H20ClNO7 |
|---|---|
| Molecular Weight | 529.09 g/mol |
| LogP | 4.2118 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.09283 |
| Heavy Atoms | 38 |
| Complexity | 1511.4812 |
Chemical Identifiers
| CAS Number | 313507-38-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6Cl |
Product Overview
ChemDiv1_023759 (CAS 313507-38-9), with molecular formula C29H20ClNO7 and molecular weight 529.09 g/mol. IUPAC: ethyl 4-[1-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate.
Chemical Property Profile of ChemDiv1_023759
Property Insights of ChemDiv1_023759
The XLogP value of 4.2118 indicates that ChemDiv1_023759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023759. Following Lipinski's Rule of Five, ChemDiv1_023759 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023759?
The CAS number of ChemDiv1_023759 is 313507-38-9.
What is the molecular formula of ChemDiv1_023759?
The molecular formula of ChemDiv1_023759 is C29H20ClNO7.
What is the molecular weight of ChemDiv1_023759?
The molecular weight of ChemDiv1_023759 is 529.09 g/mol.
Where can I buy ChemDiv1_023759?
You can request a quote for ChemDiv1_023759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023759?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.