CBKinase1_009075
TL;DR: CBKinase1_009075 (CAS 690246-54-9) is a chemical compound with molecular formula C20H16ClN3O3S2 and molecular weight 445.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: CBKinase1_009075, CBKinase1_021475, BRD-K09869780-001-01-8, F1651-0003, methyl 2-((5-(3-chlorobenzo[b]thiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C20H16ClN3O3S2 |
|---|---|
| Molecular Weight | 445.03 g/mol |
| LogP | 5.0761 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.03217 |
| Heavy Atoms | 29 |
| Complexity | 1171.6547 |
Chemical Identifiers
| CAS Number | 690246-54-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
CBKinase1_009075 (CAS 690246-54-9), with molecular formula C20H16ClN3O3S2 and molecular weight 445.03 g/mol. IUPAC: methyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of CBKinase1_009075
Property Insights of CBKinase1_009075
The XLogP value of 5.0761 indicates that CBKinase1_009075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009075. Following Lipinski's Rule of Five, CBKinase1_009075 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_009075?
The CAS number of CBKinase1_009075 is 690246-54-9.
What is the molecular formula of CBKinase1_009075?
The molecular formula of CBKinase1_009075 is C20H16ClN3O3S2.
What is the molecular weight of CBKinase1_009075?
The molecular weight of CBKinase1_009075 is 445.03 g/mol.
Where can I buy CBKinase1_009075?
You can request a quote for CBKinase1_009075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009075?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.