BAS 00888952
TL;DR: BAS 00888952 (CAS 625409-61-2) is a chemical compound with molecular formula C26H21FN4O3 and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-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 00888952, 6-(3,4-dimethoxyphenyl)-7-(4-fluorophenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C26H21FN4O3 |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 4.9943 |
| Topological Polar Surface Area | 70.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.15976 |
| Heavy Atoms | 34 |
| Complexity | 1413.8303 |
Chemical Identifiers
| CAS Number | 625409-61-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4O2)NC5=NC=NN5C3C6=CC=C(C=C6)F)OC |
Product Overview
BAS 00888952 (CAS 625409-61-2), with molecular formula C26H21FN4O3 and molecular weight 456.16 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-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 00888952
Property Insights of BAS 00888952
The XLogP value of 4.9943 indicates that BAS 00888952 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 00888952. Following Lipinski's Rule of Five, BAS 00888952 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00888952?
The CAS number of BAS 00888952 is 625409-61-2.
What is the molecular formula of BAS 00888952?
The molecular formula of BAS 00888952 is C26H21FN4O3.
What is the molecular weight of BAS 00888952?
The molecular weight of BAS 00888952 is 456.16 g/mol.
Where can I buy BAS 00888952?
You can request a quote for BAS 00888952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00888952?
Yes, KEHONG BIO provides custom synthesis services for BAS 00888952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.