CBKinase1_004519
TL;DR: CBKinase1_004519 (CAS 403714-36-3) is a chemical compound with molecular formula C17H16BrClN2O3S and molecular weight 441.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_004519, CBKinase1_016919, 2-{[(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, AN-329/41835960, 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C17H16BrClN2O3S |
|---|---|
| Molecular Weight | 441.98 g/mol |
| LogP | 4.1592 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.97534 |
| Heavy Atoms | 25 |
| Complexity | 837.5407 |
Chemical Identifiers
| CAS Number | 403714-36-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=C(C=C(C=C3)Cl)Br)C(=O)N |
Product Overview
CBKinase1_004519 (CAS 403714-36-3), with molecular formula C17H16BrClN2O3S and molecular weight 441.98 g/mol. IUPAC: 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_004519
Property Insights of CBKinase1_004519
The XLogP value of 4.1592 indicates that CBKinase1_004519 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004519. Following Lipinski's Rule of Five, CBKinase1_004519 has 2 hydrogen bond donor(s) and 4 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_004519?
The CAS number of CBKinase1_004519 is 403714-36-3.
What is the molecular formula of CBKinase1_004519?
The molecular formula of CBKinase1_004519 is C17H16BrClN2O3S.
What is the molecular weight of CBKinase1_004519?
The molecular weight of CBKinase1_004519 is 441.98 g/mol.
Where can I buy CBKinase1_004519?
You can request a quote for CBKinase1_004519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004519?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.