AE-641/12361105
TL;DR: AE-641/12361105 (CAS 304894-76-6) is a chemical compound with molecular formula C20H14F3NO5 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Also Known As: AE-641/12361105, 3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one, 3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one, 3-[2-NITRO-4-(TRIFLUOROMETHYL)PHENOXY]-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-6-ONE, 5-[2-nitro-4-(trifluoromethyl)phenoxy]-8-oxatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),3,5-tetraen-9-one
| Molecular Formula | C20H14F3NO5 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 5.3911 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.0824 |
| Heavy Atoms | 29 |
| Complexity | 1183.1758 |
Chemical Identifiers
| CAS Number | 304894-76-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(C=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OC2=O |
Product Overview
AE-641/12361105 (CAS 304894-76-6), with molecular formula C20H14F3NO5 and molecular weight 405.08 g/mol. IUPAC: 3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one.
Chemical Property Profile of AE-641/12361105
Property Insights of AE-641/12361105
The XLogP value of 5.3911 indicates that AE-641/12361105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12361105. Following Lipinski's Rule of Five, AE-641/12361105 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/12361105?
The CAS number of AE-641/12361105 is 304894-76-6.
What is the molecular formula of AE-641/12361105?
The molecular formula of AE-641/12361105 is C20H14F3NO5.
What is the molecular weight of AE-641/12361105?
The molecular weight of AE-641/12361105 is 405.08 g/mol.
Where can I buy AE-641/12361105?
You can request a quote for AE-641/12361105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12361105?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12361105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.