CBKinase1_008007
TL;DR: CBKinase1_008007 (CAS 709005-71-0) is a chemical compound with molecular formula C17H14ClN3O5S2 and molecular weight 439.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008007, CBKinase1_020407, BRD-K14898928-001-01-3, N-(5-chloro-2,4-dimethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C17H14ClN3O5S2 |
|---|---|
| Molecular Weight | 439.01 g/mol |
| LogP | 4.6059 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.00635 |
| Heavy Atoms | 28 |
| Complexity | 1056.6941 |
Chemical Identifiers
| CAS Number | 709005-71-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
CBKinase1_008007 (CAS 709005-71-0), with molecular formula C17H14ClN3O5S2 and molecular weight 439.01 g/mol. IUPAC: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008007
Property Insights of CBKinase1_008007
The XLogP value of 4.6059 indicates that CBKinase1_008007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008007. Following Lipinski's Rule of Five, CBKinase1_008007 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008007?
The CAS number of CBKinase1_008007 is 709005-71-0.
What is the molecular formula of CBKinase1_008007?
The molecular formula of CBKinase1_008007 is C17H14ClN3O5S2.
What is the molecular weight of CBKinase1_008007?
The molecular weight of CBKinase1_008007 is 439.01 g/mol.
Where can I buy CBKinase1_008007?
You can request a quote for CBKinase1_008007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008007?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.