BAS 03386040
TL;DR: BAS 03386040 (CAS 376386-29-7) is a chemical compound with molecular formula C17H19F3N2O2 and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-3-phenylpropan-1-one
Also Known As: BAS 03386040, 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-phenylpropan-1-one, 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-3-phenylpropan-1-one, 1-(3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-3-phenylpropan-1-one
| Molecular Formula | C17H19F3N2O2 |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 3.2585 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13986 |
| Heavy Atoms | 24 |
| Complexity | 644.9858 |
Chemical Identifiers
| CAS Number | 376386-29-7 |
|---|---|
| SMILES | C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)CCC3=CC=CC=C3 |
Product Overview
BAS 03386040 (CAS 376386-29-7), with molecular formula C17H19F3N2O2 and molecular weight 340.14 g/mol. IUPAC: 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-3-phenylpropan-1-one.
Chemical Property Profile of BAS 03386040
Property Insights of BAS 03386040
The XLogP value of 3.2585 indicates that BAS 03386040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 03386040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03386040 has 1 hydrogen bond donor(s) and 3 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 03386040?
The CAS number of BAS 03386040 is 376386-29-7.
What is the molecular formula of BAS 03386040?
The molecular formula of BAS 03386040 is C17H19F3N2O2.
What is the molecular weight of BAS 03386040?
The molecular weight of BAS 03386040 is 340.14 g/mol.
Where can I buy BAS 03386040?
You can request a quote for BAS 03386040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03386040?
Yes, KEHONG BIO provides custom synthesis services for BAS 03386040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.