BAS 00658963
TL;DR: BAS 00658963 (CAS 464876-80-0) is a chemical compound with molecular formula C33H33BrN2O8 and molecular weight 664.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-bromo-4,10-bis(2-ethoxyphenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate
Also Known As: BAS 00658963, ethyl 4-bromo-2,6-bis(2-ethoxyphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, ethyl 4,10-bis(2-ethoxyphenyl)-7-bromo-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-di azatetracyclo[5.5.2.0<2,6>.0<8,12>]tetradec-13-ene-13-carboxylate, ethyl 4-bromo-2,6-bis(2-ethoxyphenyl)-8,10-dimethyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate, ETHYL 7-BROMO-4,10-BIS(2-ETHOXYPHENYL)-1,14-DIMETHYL-3,5,9,11-TETRAOXO-4,10-DIAZATETRACYCLO[5.5.2.0(2),?.0?,(1)(2)]TETRADEC-13-ENE-13-CARBOXYLATE
| Molecular Formula | C33H33BrN2O8 |
|---|---|
| Molecular Weight | 664.14 g/mol |
| LogP | 4.4422 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 664.142 |
| Heavy Atoms | 44 |
| Complexity | 1556.0165 |
Chemical Identifiers
| CAS Number | 464876-80-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=O)C3C(C2=O)C4(C5C(C3(C(=C4C)C(=O)OCC)C)C(=O)N(C5=O)C6=CC=CC=C6OCC)Br |
Product Overview
BAS 00658963 (CAS 464876-80-0), with molecular formula C33H33BrN2O8 and molecular weight 664.14 g/mol. IUPAC: ethyl 7-bromo-4,10-bis(2-ethoxyphenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate.
Chemical Property Profile of BAS 00658963
Property Insights of BAS 00658963
The XLogP value of 4.4422 indicates that BAS 00658963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00658963. Following Lipinski's Rule of Five, BAS 00658963 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 00658963?
The CAS number of BAS 00658963 is 464876-80-0.
What is the molecular formula of BAS 00658963?
The molecular formula of BAS 00658963 is C33H33BrN2O8.
What is the molecular weight of BAS 00658963?
The molecular weight of BAS 00658963 is 664.14 g/mol.
Where can I buy BAS 00658963?
You can request a quote for BAS 00658963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00658963?
Yes, KEHONG BIO provides custom synthesis services for BAS 00658963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.