CBKinase1_007601
TL;DR: CBKinase1_007601 (CAS 708249-39-2) is a chemical compound with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007601, CBKinase1_020001, BRD-K03943546-001-01-2, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H21N5O3S2 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 4.77968 |
| Topological Polar Surface Area | 105.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.10858 |
| Heavy Atoms | 33 |
| Complexity | 1395.2292 |
Chemical Identifiers
| CAS Number | 708249-39-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC5=C(O4)C(=CC=C5)OC |
Product Overview
CBKinase1_007601 (CAS 708249-39-2), with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007601
Property Insights of CBKinase1_007601
The XLogP value of 4.77968 indicates that CBKinase1_007601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.97 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007601. Following Lipinski's Rule of Five, CBKinase1_007601 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_007601?
The CAS number of CBKinase1_007601 is 708249-39-2.
What is the molecular formula of CBKinase1_007601?
The molecular formula of CBKinase1_007601 is C23H21N5O3S2.
What is the molecular weight of CBKinase1_007601?
The molecular weight of CBKinase1_007601 is 479.11 g/mol.
Where can I buy CBKinase1_007601?
You can request a quote for CBKinase1_007601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007601?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.