BAS 00631902
TL;DR: BAS 00631902 (CAS 353484-49-8) is a chemical compound with molecular formula C19H15F3N2O2 and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Also Known As: BAS 00631902, 4-{3-nitrophenyl}-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline, 4-(3-nitrophenyl)-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline, 4-(3-NITROPHENYL)-6-(TRIFLUOROMETHYL)-3H,3AH,4H,5H,9BH-CYCLOPENTA[C]QUINOLINE
| Molecular Formula | C19H15F3N2O2 |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 5.4401 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.10855 |
| Heavy Atoms | 26 |
| Complexity | 907.8975 |
Chemical Identifiers
| CAS Number | 353484-49-8 |
|---|---|
| SMILES | C1C=CC2C1C(NC3=C2C=CC=C3C(F)(F)F)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00631902 (CAS 353484-49-8), with molecular formula C19H15F3N2O2 and molecular weight 360.11 g/mol. IUPAC: 4-(3-nitrophenyl)-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
Chemical Property Profile of BAS 00631902
Property Insights of BAS 00631902
The XLogP value of 5.4401 indicates that BAS 00631902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, BAS 00631902 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00631902 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 00631902?
The CAS number of BAS 00631902 is 353484-49-8.
What is the molecular formula of BAS 00631902?
The molecular formula of BAS 00631902 is C19H15F3N2O2.
What is the molecular weight of BAS 00631902?
The molecular weight of BAS 00631902 is 360.11 g/mol.
Where can I buy BAS 00631902?
You can request a quote for BAS 00631902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00631902?
Yes, KEHONG BIO provides custom synthesis services for BAS 00631902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.