BAS 00413648
TL;DR: BAS 00413648 (CAS 313270-82-5) is a chemical compound with molecular formula C30H20Cl2N4O4S2 and molecular weight 634.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-bis(3-chlorophenyl)-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 00413648, 2,7-bis(3-chlorophenyl)-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-bis(3-chlorophenyl)-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-bis(3-chlorophenyl)-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-bis(3-chlorophenyl)-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 | C30H20Cl2N4O4S2 |
|---|---|
| Molecular Weight | 634.03 g/mol |
| LogP | 5.5614 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 634.0303 |
| Heavy Atoms | 42 |
| Complexity | 1651.3379 |
Chemical Identifiers
| CAS Number | 313270-82-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=O)C3C(N4C5C(C(N4C3C2=O)C6=CC=CS6)C(=O)N(C5=O)C7=CC(=CC=C7)Cl)C8=CC=CS8 |
Product Overview
BAS 00413648 (CAS 313270-82-5), with molecular formula C30H20Cl2N4O4S2 and molecular weight 634.03 g/mol. IUPAC: 4,11-bis(3-chlorophenyl)-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 00413648
Property Insights of BAS 00413648
The XLogP value of 5.5614 indicates that BAS 00413648 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 00413648. Following Lipinski's Rule of Five, BAS 00413648 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 00413648?
The CAS number of BAS 00413648 is 313270-82-5.
What is the molecular formula of BAS 00413648?
The molecular formula of BAS 00413648 is C30H20Cl2N4O4S2.
What is the molecular weight of BAS 00413648?
The molecular weight of BAS 00413648 is 634.03 g/mol.
Where can I buy BAS 00413648?
You can request a quote for BAS 00413648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413648?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.