BAS 00501711
TL;DR: BAS 00501711 (CAS 468093-58-5) is a chemical compound with molecular formula C27H18BrNO6 and molecular weight 531.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-5-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00501711, 1-(4-bromophenyl)-5-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(4-bromophenyl)-5-(3-methoxyphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 4-(4-bromophenyl)-2-(3-methoxyphenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2-aza pentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone
| Molecular Formula | C27H18BrNO6 |
|---|---|
| Molecular Weight | 531.03 g/mol |
| LogP | 4.1528 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.03174 |
| Heavy Atoms | 35 |
| Complexity | 1396.5939 |
Chemical Identifiers
| CAS Number | 468093-58-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=C(C=C6)Br |
Product Overview
BAS 00501711 (CAS 468093-58-5), with molecular formula C27H18BrNO6 and molecular weight 531.03 g/mol. IUPAC: 1-(4-bromophenyl)-5-(3-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00501711
Property Insights of BAS 00501711
The XLogP value of 4.1528 indicates that BAS 00501711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00501711. Following Lipinski's Rule of Five, BAS 00501711 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00501711?
The CAS number of BAS 00501711 is 468093-58-5.
What is the molecular formula of BAS 00501711?
The molecular formula of BAS 00501711 is C27H18BrNO6.
What is the molecular weight of BAS 00501711?
The molecular weight of BAS 00501711 is 531.03 g/mol.
Where can I buy BAS 00501711?
You can request a quote for BAS 00501711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501711?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.