BAS 00655946
TL;DR: BAS 00655946 (CAS 331944-87-7) is a chemical compound with molecular formula C25H15Br2NO4 and molecular weight 550.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(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)benzoic acid
Also Known As: BAS 00655946, 3-(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)benzoic acid, 3-(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)benzoic acid (non-preferred name), 3-((11S,15R)-9,10-dibromo-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzoic acid, 3-(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)benzoic acid
| Molecular Formula | C25H15Br2NO4 |
|---|---|
| Molecular Weight | 550.94 g/mol |
| LogP | 4.7946 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 550.93677 |
| Heavy Atoms | 32 |
| Complexity | 1245.8077 |
Chemical Identifiers
| CAS Number | 331944-87-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Br |
Product Overview
BAS 00655946 (CAS 331944-87-7), with molecular formula C25H15Br2NO4 and molecular weight 550.94 g/mol. IUPAC: 3-(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)benzoic acid.
Chemical Property Profile of BAS 00655946
Property Insights of BAS 00655946
The XLogP value of 4.7946 indicates that BAS 00655946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00655946. Following Lipinski's Rule of Five, BAS 00655946 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00655946?
The CAS number of BAS 00655946 is 331944-87-7.
What is the molecular formula of BAS 00655946?
The molecular formula of BAS 00655946 is C25H15Br2NO4.
What is the molecular weight of BAS 00655946?
The molecular weight of BAS 00655946 is 550.94 g/mol.
Where can I buy BAS 00655946?
You can request a quote for BAS 00655946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655946?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.