BAS 00501716
TL;DR: BAS 00501716 (CAS 471289-08-4) is a chemical compound with molecular formula C27H17BrClNO5 and molecular weight 549.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00501716, 5-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(4-bromophenyl)-3-(4-chloro-3-methylphenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone, 2-(4-bromophenyl)-4-(4-chloro-3-methylphenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-o xa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone, 5-(4-BROMOPHENYL)-3-(4-CHLORO-3-METHYLPHENYL)-3A,6A-DIHYDRO-3H-SPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE
| Molecular Formula | C27H17BrClNO5 |
|---|---|
| Molecular Weight | 549.00 g/mol |
| LogP | 5.10602 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 548.99786 |
| Heavy Atoms | 35 |
| Complexity | 1431.6483 |
Chemical Identifiers
| CAS Number | 471289-08-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5(O2)C(=O)C6=CC=CC=C6C5=O)Cl |
Product Overview
BAS 00501716 (CAS 471289-08-4), with molecular formula C27H17BrClNO5 and molecular weight 549.00 g/mol. IUPAC: 5-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00501716
Property Insights of BAS 00501716
The XLogP value of 5.10602 indicates that BAS 00501716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00501716. Following Lipinski's Rule of Five, BAS 00501716 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501716?
The CAS number of BAS 00501716 is 471289-08-4.
What is the molecular formula of BAS 00501716?
The molecular formula of BAS 00501716 is C27H17BrClNO5.
What is the molecular weight of BAS 00501716?
The molecular weight of BAS 00501716 is 549.00 g/mol.
Where can I buy BAS 00501716?
You can request a quote for BAS 00501716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501716?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.