CBKinase1_006091
TL;DR: CBKinase1_006091 (CAS 701238-57-5) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: CBKinase1_006091, CBKinase1_018491, BAS 07459872, BRD-K64391430-001-01-9, 2-(2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.8717 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 1075.1216 |
Chemical Identifiers
| CAS Number | 701238-57-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O)C(=O)O |
Product Overview
CBKinase1_006091 (CAS 701238-57-5), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of CBKinase1_006091
Property Insights of CBKinase1_006091
The XLogP value of 2.8717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_006091. The TPSA of 101.54 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006091. Following Lipinski's Rule of Five, CBKinase1_006091 has 2 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_006091?
The CAS number of CBKinase1_006091 is 701238-57-5.
What is the molecular formula of CBKinase1_006091?
The molecular formula of CBKinase1_006091 is C18H16N2O5S.
What is the molecular weight of CBKinase1_006091?
The molecular weight of CBKinase1_006091 is 372.08 g/mol.
Where can I buy CBKinase1_006091?
You can request a quote for CBKinase1_006091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006091?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.