BAS 00416513
TL;DR: BAS 00416513 (CAS 487001-01-4) is a chemical compound with molecular formula C27H17Cl2NO5 and molecular weight 505.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloro-4-methylphenyl)-1-(3-chlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00416513, 5-(3-chloro-4-methylphenyl)-1-(3-chlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(3-chlorophenyl)-5-(3-chloro-4-methylphenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone, 2-(3-chloro-4-methylphenyl)-4-(3-chlorophenyl)spiro[2,4,5,6,3a,6a-hexahydro-5- oxa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone
| Molecular Formula | C27H17Cl2NO5 |
|---|---|
| Molecular Weight | 505.05 g/mol |
| LogP | 4.99692 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.04837 |
| Heavy Atoms | 35 |
| Complexity | 1446.8983 |
Chemical Identifiers
| CAS Number | 487001-01-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC(=CC=C6)Cl)Cl |
Product Overview
BAS 00416513 (CAS 487001-01-4), with molecular formula C27H17Cl2NO5 and molecular weight 505.05 g/mol. IUPAC: 5-(3-chloro-4-methylphenyl)-1-(3-chlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00416513
Property Insights of BAS 00416513
The XLogP value of 4.99692 indicates that BAS 00416513 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 00416513. Following Lipinski's Rule of Five, BAS 00416513 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 00416513?
The CAS number of BAS 00416513 is 487001-01-4.
What is the molecular formula of BAS 00416513?
The molecular formula of BAS 00416513 is C27H17Cl2NO5.
What is the molecular weight of BAS 00416513?
The molecular weight of BAS 00416513 is 505.05 g/mol.
Where can I buy BAS 00416513?
You can request a quote for BAS 00416513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416513?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.