BAS 00126999
TL;DR: BAS 00126999 (CAS 312309-12-9) is a chemical compound with molecular formula C26H15ClN2O7 and molecular weight 502.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-(4-nitrophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00126999, 1-(4-chlorophenyl)-5-(4-nitrophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(4-chlorophenyl)-5-(4-nitrophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 3-(4-CHLOROPHENYL)-5-(4-NITROPHENYL)-1',3,3',3A,4,5,6,6A-OCTAHYDROSPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE, 3-(4-chlorophenyl)-5-(4-nitrophenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone
| Molecular Formula | C26H15ClN2O7 |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 3.9433 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 502.0568 |
| Heavy Atoms | 36 |
| Complexity | 1464.4321 |
Chemical Identifiers
| CAS Number | 312309-12-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3(C2=O)C4C(C(O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
BAS 00126999 (CAS 312309-12-9), with molecular formula C26H15ClN2O7 and molecular weight 502.06 g/mol. IUPAC: 1-(4-chlorophenyl)-5-(4-nitrophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00126999
Property Insights of BAS 00126999
The XLogP value of 3.9433 indicates that BAS 00126999 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00126999. Following Lipinski's Rule of Five, BAS 00126999 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 00126999?
The CAS number of BAS 00126999 is 312309-12-9.
What is the molecular formula of BAS 00126999?
The molecular formula of BAS 00126999 is C26H15ClN2O7.
What is the molecular weight of BAS 00126999?
The molecular weight of BAS 00126999 is 502.06 g/mol.
Where can I buy BAS 00126999?
You can request a quote for BAS 00126999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126999?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.