BAS 00413647
TL;DR: BAS 00413647 (CAS 106718-28-9) is a chemical compound with molecular formula C30H22N4O4S2 and molecular weight 566.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
Also Known As: BAS 00413647, 2,7-diphenyl-5,10-di(2-thienyl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,5H,7H)-tetrone, 2,7-diphenyl-5,10-di(thiophen-2-yl)tetrahydropyrrolo[3,4-c]pyrrolo[3',4':4,5]pyrazolo[1,2-a]pyrazole-1,3,6,8(2H,3aH,7H,8aH)-tetraone, 4,11-diphenyl-7,14-di(2-thienyl)-1,4,8,11-tetraazatetracyclo[6.6.0.0<2,6>.0<9, 13>]tetradecane-3,5,10,12-tetraone, 4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
| Molecular Formula | C30H22N4O4S2 |
|---|---|
| Molecular Weight | 566.11 g/mol |
| LogP | 4.2546 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.1083 |
| Heavy Atoms | 40 |
| Complexity | 1519.6066 |
Chemical Identifiers
| CAS Number | 106718-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=CS6)C(=O)N(C5=O)C7=CC=CC=C7)C8=CC=CS8 |
Product Overview
BAS 00413647 (CAS 106718-28-9), with molecular formula C30H22N4O4S2 and molecular weight 566.11 g/mol. IUPAC: 4,11-diphenyl-7,14-dithiophen-2-yl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.
Chemical Property Profile of BAS 00413647
Property Insights of BAS 00413647
The XLogP value of 4.2546 indicates that BAS 00413647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00413647. Following Lipinski's Rule of Five, BAS 00413647 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00413647?
The CAS number of BAS 00413647 is 106718-28-9.
What is the molecular formula of BAS 00413647?
The molecular formula of BAS 00413647 is C30H22N4O4S2.
What is the molecular weight of BAS 00413647?
The molecular weight of BAS 00413647 is 566.11 g/mol.
Where can I buy BAS 00413647?
You can request a quote for BAS 00413647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413647?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.