BAS 00888940
TL;DR: BAS 00888940 (CAS 332059-63-9) is a chemical compound with molecular formula C26H21BrN4O3 and molecular weight 516.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-bromophenyl)-9-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: BAS 00888940, 7-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C26H21BrN4O3 |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 5.6177 |
| Topological Polar Surface Area | 70.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.0797 |
| Heavy Atoms | 34 |
| Complexity | 1413.8303 |
Chemical Identifiers
| CAS Number | 332059-63-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4O2)NC5=NC=NN5C3C6=CC=C(C=C6)Br)OC |
Product Overview
BAS 00888940 (CAS 332059-63-9), with molecular formula C26H21BrN4O3 and molecular weight 516.08 g/mol. IUPAC: 11-(4-bromophenyl)-9-(3,4-dimethoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of BAS 00888940
Property Insights of BAS 00888940
The XLogP value of 5.6177 indicates that BAS 00888940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00888940. Following Lipinski's Rule of Five, BAS 00888940 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00888940?
The CAS number of BAS 00888940 is 332059-63-9.
What is the molecular formula of BAS 00888940?
The molecular formula of BAS 00888940 is C26H21BrN4O3.
What is the molecular weight of BAS 00888940?
The molecular weight of BAS 00888940 is 516.08 g/mol.
Where can I buy BAS 00888940?
You can request a quote for BAS 00888940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00888940?
Yes, KEHONG BIO provides custom synthesis services for BAS 00888940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.