BAS 00447947
TL;DR: BAS 00447947 (CAS 5404-22-8) is a chemical compound with molecular formula C44H35NO7 and molecular weight 689.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
Also Known As: BAS 00447947, ethyl 4-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzoate, Ethyl 4-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate, Ethyl 4-[5,6-bis(4-methoxyphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate, ethyl 4-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2 .1.0<2,6>]dec-8-en-4-yl]benzoate
| Molecular Formula | C44H35NO7 |
|---|---|
| Molecular Weight | 689.24 g/mol |
| LogP | 7.0694 |
| Topological Polar Surface Area | 99.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 689.24133 |
| Heavy Atoms | 52 |
| Complexity | 2117.5068 |
Chemical Identifiers
| CAS Number | 5404-22-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=C(C3(C4=O)C5=CC=CC=C5)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)C8=CC=CC=C8 |
Product Overview
BAS 00447947 (CAS 5404-22-8), with molecular formula C44H35NO7 and molecular weight 689.24 g/mol. IUPAC: ethyl 4-[8,9-bis(4-methoxyphenyl)-3,5,10-trioxo-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate.
Chemical Property Profile of BAS 00447947
Property Insights of BAS 00447947
The XLogP value of 7.0694 indicates that BAS 00447947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00447947. Following Lipinski's Rule of Five, BAS 00447947 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00447947?
The CAS number of BAS 00447947 is 5404-22-8.
What is the molecular formula of BAS 00447947?
The molecular formula of BAS 00447947 is C44H35NO7.
What is the molecular weight of BAS 00447947?
The molecular weight of BAS 00447947 is 689.24 g/mol.
Where can I buy BAS 00447947?
You can request a quote for BAS 00447947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00447947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00447947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.