BAS 00757859
TL;DR: BAS 00757859 (CAS 333340-77-5) is a chemical compound with molecular formula C28H18Br2ClNO5 and molecular weight 640.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Also Known As: BAS 00757859, 2-(4-chlorophenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate, 2-(4-chlorophenyl)-2-oxoethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate (non-preferred name), [2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate, 2-(4-chlorophenyl)-2-oxoethyl 2-(1,8-dibromo-16,19-dioxo-15-azahexacyclo[6.6.4 .1<15,18>.0<1,17>.0<2,7>.0<9,14>]nonadeca-2(7),3,5,9(14),10,12-hexaen-15-yl)ac etate
| Molecular Formula | C28H18Br2ClNO5 |
|---|---|
| Molecular Weight | 640.92 g/mol |
| LogP | 4.9713 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 640.924 |
| Heavy Atoms | 37 |
| Complexity | 1382.9171 |
Chemical Identifiers
| CAS Number | 333340-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC=C(C=C6)Cl)Br |
Product Overview
BAS 00757859 (CAS 333340-77-5), with molecular formula C28H18Br2ClNO5 and molecular weight 640.92 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate.
Chemical Property Profile of BAS 00757859
Property Insights of BAS 00757859
The XLogP value of 4.9713 indicates that BAS 00757859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757859. Following Lipinski's Rule of Five, BAS 00757859 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00757859?
The CAS number of BAS 00757859 is 333340-77-5.
What is the molecular formula of BAS 00757859?
The molecular formula of BAS 00757859 is C28H18Br2ClNO5.
What is the molecular weight of BAS 00757859?
The molecular weight of BAS 00757859 is 640.92 g/mol.
Where can I buy BAS 00757859?
You can request a quote for BAS 00757859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757859?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.