CBKinase1_007770
TL;DR: CBKinase1_007770 (CAS 708990-66-3) is a chemical compound with molecular formula C20H17F2N3OS2 and molecular weight 417.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
Also Known As: CBKinase1_007770, CBKinase1_020170, F1628-0902, BRD-K79627460-001-01-2, N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H17F2N3OS2 |
|---|---|
| Molecular Weight | 417.08 g/mol |
| LogP | 5.49752 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.07812 |
| Heavy Atoms | 28 |
| Complexity | 937.9407 |
Chemical Identifiers
| CAS Number | 708990-66-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=CC=C3 |
Product Overview
CBKinase1_007770 (CAS 708990-66-3), with molecular formula C20H17F2N3OS2 and molecular weight 417.08 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of CBKinase1_007770
Property Insights of CBKinase1_007770
The XLogP value of 5.49752 indicates that CBKinase1_007770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, CBKinase1_007770 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_007770 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 CBKinase1_007770?
The CAS number of CBKinase1_007770 is 708990-66-3.
What is the molecular formula of CBKinase1_007770?
The molecular formula of CBKinase1_007770 is C20H17F2N3OS2.
What is the molecular weight of CBKinase1_007770?
The molecular weight of CBKinase1_007770 is 417.08 g/mol.
Where can I buy CBKinase1_007770?
You can request a quote for CBKinase1_007770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007770?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.