ASN 05213951
TL;DR: ASN 05213951 (CAS 460330-29-4) is a chemical compound with molecular formula C31H30F3N7O2 and molecular weight 589.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
Also Known As: ASN 05213951, 6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one, 6-methoxy-3-[(1-phenethyltetrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
| Molecular Formula | C31H30F3N7O2 |
|---|---|
| Molecular Weight | 589.24 g/mol |
| LogP | 4.6963 |
| Topological Polar Surface Area | 92.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.24133 |
| Heavy Atoms | 43 |
| Complexity | 1763.0936 |
Chemical Identifiers
| CAS Number | 460330-29-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6=CC=CC(=C6)C(F)(F)F |
Product Overview
ASN 05213951 (CAS 460330-29-4), with molecular formula C31H30F3N7O2 and molecular weight 589.24 g/mol. IUPAC: 6-methoxy-3-[[1-(2-phenylethyl)tetrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinolin-2-one.
Chemical Property Profile of ASN 05213951
Property Insights of ASN 05213951
The XLogP value of 4.6963 indicates that ASN 05213951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05213951. Following Lipinski's Rule of Five, ASN 05213951 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05213951?
The CAS number of ASN 05213951 is 460330-29-4.
What is the molecular formula of ASN 05213951?
The molecular formula of ASN 05213951 is C31H30F3N7O2.
What is the molecular weight of ASN 05213951?
The molecular weight of ASN 05213951 is 589.24 g/mol.
Where can I buy ASN 05213951?
You can request a quote for ASN 05213951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05213951?
Yes, KEHONG BIO provides custom synthesis services for ASN 05213951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.