12H-314S
TL;DR: 12H-314S (CAS 306977-63-9) is a chemical compound with molecular formula C19H10F6N2O4S and molecular weight 476.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-nitro-3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Also Known As: 12H-314S, 3-[4-nitro-3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide, 3-[4-nitro-3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]-2-thiophenecarboxamide
| Molecular Formula | C19H10F6N2O4S |
|---|---|
| Molecular Weight | 476.03 g/mol |
| LogP | 6.7385 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.02655 |
| Heavy Atoms | 32 |
| Complexity | 1155.86 |
Chemical Identifiers
| CAS Number | 306977-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=CS2)OC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
12H-314S (CAS 306977-63-9), with molecular formula C19H10F6N2O4S and molecular weight 476.03 g/mol. IUPAC: 3-[4-nitro-3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
Chemical Property Profile of 12H-314S
Property Insights of 12H-314S
The XLogP value of 6.7385 indicates that 12H-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-314S. Following Lipinski's Rule of Five, 12H-314S has 1 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 12H-314S?
The CAS number of 12H-314S is 306977-63-9.
What is the molecular formula of 12H-314S?
The molecular formula of 12H-314S is C19H10F6N2O4S.
What is the molecular weight of 12H-314S?
The molecular weight of 12H-314S is 476.03 g/mol.
Where can I buy 12H-314S?
You can request a quote for 12H-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-314S?
Yes, KEHONG BIO provides custom synthesis services for 12H-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.