CBKinase1_004325
TL;DR: CBKinase1_004325 (CAS 691376-84-8) is a chemical compound with molecular formula C19H17F3N2O4S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-ethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_004325, CBKinase1_016725, VU0048164-1, BRD-A98314940-001-01-6, methyl 5-ethyl-2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}thiophene-3-carboxylate
| Molecular Formula | C19H17F3N2O4S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 4.5575 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.0582 |
| Heavy Atoms | 30 |
| Complexity | 1004.1511 |
Chemical Identifiers
| CAS Number | 691376-84-8 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)OC |
Product Overview
CBKinase1_004325 (CAS 691376-84-8), with molecular formula C19H17F3N2O4S2 and molecular weight 458.06 g/mol. IUPAC: methyl 5-ethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_004325
Property Insights of CBKinase1_004325
The XLogP value of 4.5575 indicates that CBKinase1_004325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004325. Following Lipinski's Rule of Five, CBKinase1_004325 has 2 hydrogen bond donor(s) and 6 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_004325?
The CAS number of CBKinase1_004325 is 691376-84-8.
What is the molecular formula of CBKinase1_004325?
The molecular formula of CBKinase1_004325 is C19H17F3N2O4S2.
What is the molecular weight of CBKinase1_004325?
The molecular weight of CBKinase1_004325 is 458.06 g/mol.
Where can I buy CBKinase1_004325?
You can request a quote for CBKinase1_004325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004325?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.