BAS 00916131
TL;DR: BAS 00916131 (CAS 485755-13-3) 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-[5-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1-yl]benzoate
Also Known As: BAS 00916131, ethyl 4-(5-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3a,3',4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl)benzoate, ethyl 4-[5-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1-yl]benzoate, ethyl 4-[5-(2-chlorophenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate, ethyl 4-[5-(2-chlorophenyl)-4,6,9,11-tetraoxospiro[1,2,3,5,3a,6a-hexahydro-2-o xa-5-azapentalene-3,2'-2-hydrocyclopenta[1,2-a]benzene]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 | 485755-13-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O |
Product Overview
BAS 00916131 (CAS 485755-13-3), with molecular formula C29H20ClNO7 and molecular weight 529.09 g/mol. IUPAC: ethyl 4-[5-(2-chlorophenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1-yl]benzoate.
Chemical Property Profile of BAS 00916131
Property Insights of BAS 00916131
The XLogP value of 4.2118 indicates that BAS 00916131 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 BAS 00916131. Following Lipinski's Rule of Five, BAS 00916131 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 BAS 00916131?
The CAS number of BAS 00916131 is 485755-13-3.
What is the molecular formula of BAS 00916131?
The molecular formula of BAS 00916131 is C29H20ClNO7.
What is the molecular weight of BAS 00916131?
The molecular weight of BAS 00916131 is 529.09 g/mol.
Where can I buy BAS 00916131?
You can request a quote for BAS 00916131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916131?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.