ChemDiv3_007235
TL;DR: ChemDiv3_007235 (CAS 710288-68-9) is a chemical compound with molecular formula C18H13F3N2O2S2 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
Also Known As: ChemDiv3_007235, IDI1_025145, F1625-0068, methyl 4-({[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoate, BRD-K05266851-001-01-5
| Molecular Formula | C18H13F3N2O2S2 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 5.3028 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.03705 |
| Heavy Atoms | 27 |
| Complexity | 926.77985 |
Chemical Identifiers
| CAS Number | 710288-68-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3 |
Product Overview
ChemDiv3_007235 (CAS 710288-68-9), with molecular formula C18H13F3N2O2S2 and molecular weight 410.04 g/mol. IUPAC: methyl 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of ChemDiv3_007235
Property Insights of ChemDiv3_007235
The XLogP value of 5.3028 indicates that ChemDiv3_007235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, ChemDiv3_007235 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007235 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 ChemDiv3_007235?
The CAS number of ChemDiv3_007235 is 710288-68-9.
What is the molecular formula of ChemDiv3_007235?
The molecular formula of ChemDiv3_007235 is C18H13F3N2O2S2.
What is the molecular weight of ChemDiv3_007235?
The molecular weight of ChemDiv3_007235 is 410.04 g/mol.
Where can I buy ChemDiv3_007235?
You can request a quote for ChemDiv3_007235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007235?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.