BAS 00890117
TL;DR: BAS 00890117 (CAS 332062-57-4) is a chemical compound with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: BAS 00890117, 5-(4-ethoxyphenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine, F1589-1040, 5-(4-ethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 7-(4-ethoxyphenyl)-4-(thiophen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
| Molecular Formula | C22H20N2O2S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 5.3891 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.12454 |
| Heavy Atoms | 27 |
| Complexity | 966.24255 |
Chemical Identifiers
| CAS Number | 332062-57-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2 |
Product Overview
BAS 00890117 (CAS 332062-57-4), with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol. IUPAC: 5-(4-ethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of BAS 00890117
Property Insights of BAS 00890117
The XLogP value of 5.3891 indicates that BAS 00890117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.06 Ų, BAS 00890117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00890117 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 00890117?
The CAS number of BAS 00890117 is 332062-57-4.
What is the molecular formula of BAS 00890117?
The molecular formula of BAS 00890117 is C22H20N2O2S.
What is the molecular weight of BAS 00890117?
The molecular weight of BAS 00890117 is 376.12 g/mol.
Where can I buy BAS 00890117?
You can request a quote for BAS 00890117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00890117?
Yes, KEHONG BIO provides custom synthesis services for BAS 00890117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.