1P-671S
TL;DR: 1P-671S (CAS 477869-56-0) is a chemical compound with molecular formula C21H13F3N2O3S2 and molecular weight 462.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-1,3-benzothiazole
Also Known As: 1P-671S, 2-[(2-nitro-4-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)sulfanyl]-1,3-benzothiazole, 2-[2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-1,3-benzothiazole, 2-[2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanylbenzothiazole
| Molecular Formula | C21H13F3N2O3S2 |
|---|---|
| Molecular Weight | 462.03 g/mol |
| LogP | 6.9535 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.03198 |
| Heavy Atoms | 31 |
| Complexity | 1225.0878 |
Chemical Identifiers
| CAS Number | 477869-56-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)COC4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1P-671S (CAS 477869-56-0), with molecular formula C21H13F3N2O3S2 and molecular weight 462.03 g/mol. IUPAC: 2-[2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 1P-671S
Property Insights of 1P-671S
The XLogP value of 6.9535 indicates that 1P-671S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1P-671S. Following Lipinski's Rule of Five, 1P-671S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1P-671S?
The CAS number of 1P-671S is 477869-56-0.
What is the molecular formula of 1P-671S?
The molecular formula of 1P-671S is C21H13F3N2O3S2.
What is the molecular weight of 1P-671S?
The molecular weight of 1P-671S is 462.03 g/mol.
Where can I buy 1P-671S?
You can request a quote for 1P-671S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1P-671S?
Yes, KEHONG BIO provides custom synthesis services for 1P-671S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.