BAS 03386036
TL;DR: BAS 03386036 (CAS 364738-93-2) is a chemical compound with molecular formula C14H14F3N3O2 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-pyridin-4-ylmethanone
Also Known As: BAS 03386036, [3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-pyridin-4-ylmethanone, [3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](pyridin-4-yl)methanone, (3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)(pyridin-4-yl)methanone
| Molecular Formula | C14H14F3N3O2 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.3345 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.10382 |
| Heavy Atoms | 22 |
| Complexity | 617.5091 |
Chemical Identifiers
| CAS Number | 364738-93-2 |
|---|---|
| SMILES | C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC=NC=C3 |
Product Overview
BAS 03386036 (CAS 364738-93-2), with molecular formula C14H14F3N3O2 and molecular weight 313.10 g/mol. IUPAC: [3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of BAS 03386036
Property Insights of BAS 03386036
The XLogP value of 2.3345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03386036. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03386036. Following Lipinski's Rule of Five, BAS 03386036 has 1 hydrogen bond donor(s) and 4 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 03386036?
The CAS number of BAS 03386036 is 364738-93-2.
What is the molecular formula of BAS 03386036?
The molecular formula of BAS 03386036 is C14H14F3N3O2.
What is the molecular weight of BAS 03386036?
The molecular weight of BAS 03386036 is 313.10 g/mol.
Where can I buy BAS 03386036?
You can request a quote for BAS 03386036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03386036?
Yes, KEHONG BIO provides custom synthesis services for BAS 03386036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.