CBKinase1_004649
TL;DR: CBKinase1_004649 (CAS 700858-79-3) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide
Also Known As: CBKinase1_004649, CBKinase1_017049, BAS 07100344, AJ-292/42284957, 1-{[(4-phenyl-5,6,7,8-tetrahydro-2-quinazolinyl)thio]acetyl}-4-piperidinecarboxamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 2.8384 |
| Topological Polar Surface Area | 89.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 895.1853 |
Chemical Identifiers
| CAS Number | 700858-79-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)N)C4=CC=CC=C4 |
Product Overview
CBKinase1_004649 (CAS 700858-79-3), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: 1-[2-[(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide.
Chemical Property Profile of CBKinase1_004649
Property Insights of CBKinase1_004649
The XLogP value of 2.8384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004649. The TPSA of 89.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004649. Following Lipinski's Rule of Five, CBKinase1_004649 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_004649?
The CAS number of CBKinase1_004649 is 700858-79-3.
What is the molecular formula of CBKinase1_004649?
The molecular formula of CBKinase1_004649 is C22H26N4O2S.
What is the molecular weight of CBKinase1_004649?
The molecular weight of CBKinase1_004649 is 410.18 g/mol.
Where can I buy CBKinase1_004649?
You can request a quote for CBKinase1_004649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004649?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.