CBKinase1_009326
TL;DR: CBKinase1_009326 (CAS 823830-97-3) is a chemical compound with molecular formula C18H14BrN3O3S and molecular weight 430.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: CBKinase1_009326, CBKinase1_021726, BRD-K48042600-001-01-3, 2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
| Molecular Formula | C18H14BrN3O3S |
|---|---|
| Molecular Weight | 430.99 g/mol |
| LogP | 3.80768 |
| Topological Polar Surface Area | 88.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.99393 |
| Heavy Atoms | 26 |
| Complexity | 1119.3322 |
Chemical Identifiers
| CAS Number | 823830-97-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=C(C=C(C=C4)Br)OC3=O)C#N |
Product Overview
CBKinase1_009326 (CAS 823830-97-3), with molecular formula C18H14BrN3O3S and molecular weight 430.99 g/mol. IUPAC: 2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of CBKinase1_009326
Property Insights of CBKinase1_009326
The XLogP value of 3.80768 indicates that CBKinase1_009326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.03 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009326. Following Lipinski's Rule of Five, CBKinase1_009326 has 1 hydrogen bond donor(s) and 5 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_009326?
The CAS number of CBKinase1_009326 is 823830-97-3.
What is the molecular formula of CBKinase1_009326?
The molecular formula of CBKinase1_009326 is C18H14BrN3O3S.
What is the molecular weight of CBKinase1_009326?
The molecular weight of CBKinase1_009326 is 430.99 g/mol.
Where can I buy CBKinase1_009326?
You can request a quote for CBKinase1_009326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009326?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.