BAS 05014514
TL;DR: BAS 05014514 (CAS 495384-29-7) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Also Known As: BAS 05014514, AO-081/15569253, 4,10-di(4-pyridinyl)-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetrone, 2,6-di(pyridin-4-yl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone, 4,10-di(4-pyridyl)-4,10-diazatetracyclo[5.5.2.0<2,6>.0<8,12>]tetradec-13-ene-3 ,5,9,11-tetraone
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.2038 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 998.84125 |
Chemical Identifiers
| CAS Number | 495384-29-7 |
|---|---|
| SMILES | C1=CC2C3C(C1C4C2C(=O)N(C4=O)C5=CC=NC=C5)C(=O)N(C3=O)C6=CC=NC=C6 |
Product Overview
BAS 05014514 (CAS 495384-29-7), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: 4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.
Chemical Property Profile of BAS 05014514
Property Insights of BAS 05014514
The XLogP value of 1.2038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05014514. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05014514. Following Lipinski's Rule of Five, BAS 05014514 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05014514?
The CAS number of BAS 05014514 is 495384-29-7.
What is the molecular formula of BAS 05014514?
The molecular formula of BAS 05014514 is C22H16N4O4.
What is the molecular weight of BAS 05014514?
The molecular weight of BAS 05014514 is 400.12 g/mol.
Where can I buy BAS 05014514?
You can request a quote for BAS 05014514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05014514?
Yes, KEHONG BIO provides custom synthesis services for BAS 05014514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.