BAS 00818151
TL;DR: BAS 00818151 (CAS 488786-16-9) is a chemical compound with molecular formula C21H21Br2NO5 and molecular weight 524.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate
Also Known As: BAS 00818151, 2-(4-methylphenyl)-2-oxoethyl 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoate, 2-(4-methylphenyl)-2-oxoethyl 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate, [2-(4-methylphenyl)-2-oxoethyl] 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate, 2-(4-methylphenyl)-2-oxoethyl 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0<2 ,6>]dec-4-yl)propanoate
| Molecular Formula | C21H21Br2NO5 |
|---|---|
| Molecular Weight | 524.98 g/mol |
| LogP | 2.88892 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.97864 |
| Heavy Atoms | 29 |
| Complexity | 838.32733 |
Chemical Identifiers
| CAS Number | 488786-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br |
Product Overview
BAS 00818151 (CAS 488786-16-9), with molecular formula C21H21Br2NO5 and molecular weight 524.98 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanoate.
Chemical Property Profile of BAS 00818151
Property Insights of BAS 00818151
The XLogP value of 2.88892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00818151. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00818151. Following Lipinski's Rule of Five, BAS 00818151 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 00818151?
The CAS number of BAS 00818151 is 488786-16-9.
What is the molecular formula of BAS 00818151?
The molecular formula of BAS 00818151 is C21H21Br2NO5.
What is the molecular weight of BAS 00818151?
The molecular weight of BAS 00818151 is 524.98 g/mol.
Where can I buy BAS 00818151?
You can request a quote for BAS 00818151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818151?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.