BAS 07093312
TL;DR: BAS 07093312 (CAS 313379-56-5) is a chemical compound with molecular formula C17H15F3N4O and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 07093312, AB00133644-03, 6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-d]pyrazole-5-carb onitrile
| Molecular Formula | C17H15F3N4O |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 3.59918 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.11978 |
| Heavy Atoms | 25 |
| Complexity | 876.7486 |
Chemical Identifiers
| CAS Number | 313379-56-5 |
|---|---|
| SMILES | CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3C(F)(F)F |
Product Overview
BAS 07093312 (CAS 313379-56-5), with molecular formula C17H15F3N4O and molecular weight 348.12 g/mol. IUPAC: 6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 07093312
Property Insights of BAS 07093312
The XLogP value of 3.59918 indicates that BAS 07093312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07093312. Following Lipinski's Rule of Five, BAS 07093312 has 2 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 07093312?
The CAS number of BAS 07093312 is 313379-56-5.
What is the molecular formula of BAS 07093312?
The molecular formula of BAS 07093312 is C17H15F3N4O.
What is the molecular weight of BAS 07093312?
The molecular weight of BAS 07093312 is 348.12 g/mol.
Where can I buy BAS 07093312?
You can request a quote for BAS 07093312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07093312?
Yes, KEHONG BIO provides custom synthesis services for BAS 07093312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.