BAS 00447945
TL;DR: BAS 00447945 (CAS 467239-58-3) is a chemical compound with molecular formula C42H33NO6 and molecular weight 647.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Also Known As: BAS 00447945, 4-(2-methoxyphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione, 2-(2-methoxyphenyl)-5,6-bis(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione, 4-(2-methoxyphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
| Molecular Formula | C42H33NO6 |
|---|---|
| Molecular Weight | 647.23 g/mol |
| LogP | 6.9013 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 647.2308 |
| Heavy Atoms | 49 |
| Complexity | 2012.7258 |
Chemical Identifiers
| CAS Number | 467239-58-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6OC)C7=CC=CC=C7)C8=CC=C(C=C8)OC |
Product Overview
BAS 00447945 (CAS 467239-58-3), with molecular formula C42H33NO6 and molecular weight 647.23 g/mol. IUPAC: 4-(2-methoxyphenyl)-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione.
Chemical Property Profile of BAS 00447945
Property Insights of BAS 00447945
The XLogP value of 6.9013 indicates that BAS 00447945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00447945. Following Lipinski's Rule of Five, BAS 00447945 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 00447945?
The CAS number of BAS 00447945 is 467239-58-3.
What is the molecular formula of BAS 00447945?
The molecular formula of BAS 00447945 is C42H33NO6.
What is the molecular weight of BAS 00447945?
The molecular weight of BAS 00447945 is 647.23 g/mol.
Where can I buy BAS 00447945?
You can request a quote for BAS 00447945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00447945?
Yes, KEHONG BIO provides custom synthesis services for BAS 00447945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.