CBKinase1_009648
TL;DR: CBKinase1_009648 (CAS 714260-56-7) is a chemical compound with molecular formula C19H18F3N3O3S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_009648, CBKinase1_022048, AH-487/42922887, BRD-K37631826-001-01-4, methyl 2-[({[4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C19H18F3N3O3S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 3.8916 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1021 |
| Heavy Atoms | 29 |
| Complexity | 934.6459 |
Chemical Identifiers
| CAS Number | 714260-56-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(CCCC3)C(=N2)C(F)(F)F |
Product Overview
CBKinase1_009648 (CAS 714260-56-7), with molecular formula C19H18F3N3O3S and molecular weight 425.10 g/mol. IUPAC: methyl 2-[[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_009648
Property Insights of CBKinase1_009648
The XLogP value of 3.8916 indicates that CBKinase1_009648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009648. Following Lipinski's Rule of Five, CBKinase1_009648 has 1 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_009648?
The CAS number of CBKinase1_009648 is 714260-56-7.
What is the molecular formula of CBKinase1_009648?
The molecular formula of CBKinase1_009648 is C19H18F3N3O3S.
What is the molecular weight of CBKinase1_009648?
The molecular weight of CBKinase1_009648 is 425.10 g/mol.
Where can I buy CBKinase1_009648?
You can request a quote for CBKinase1_009648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009648?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.