CBKinase1_008419
TL;DR: CBKinase1_008419 (CAS 354555-66-1) is a chemical compound with molecular formula C25H18N2O3S2 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
Also Known As: CBKinase1_008419, CBKinase1_020819, US10548313, Formula Ia-v, US10548313, Formula Ia-xiv, AM-807/13613024
| Molecular Formula | C25H18N2O3S2 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 6.27538 |
| Topological Polar Surface Area | 83.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0759 |
| Heavy Atoms | 32 |
| Complexity | 1265.2974 |
Chemical Identifiers
| CAS Number | 354555-66-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C3=CC=CC=C3)C(=O)O)C4=CC=CS4 |
Product Overview
CBKinase1_008419 (CAS 354555-66-1), with molecular formula C25H18N2O3S2 and molecular weight 458.08 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid.
Chemical Property Profile of CBKinase1_008419
Property Insights of CBKinase1_008419
The XLogP value of 6.27538 indicates that CBKinase1_008419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.21 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008419. Following Lipinski's Rule of Five, CBKinase1_008419 has 1 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 CBKinase1_008419?
The CAS number of CBKinase1_008419 is 354555-66-1.
What is the molecular formula of CBKinase1_008419?
The molecular formula of CBKinase1_008419 is C25H18N2O3S2.
What is the molecular weight of CBKinase1_008419?
The molecular weight of CBKinase1_008419 is 458.08 g/mol.
Where can I buy CBKinase1_008419?
You can request a quote for CBKinase1_008419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008419?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.