CBKinase1_003154
TL;DR: CBKinase1_003154 (CAS 693228-80-7) is a chemical compound with molecular formula C20H17N5O2S and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
Also Known As: CBKinase1_003154, CBKinase1_015554, BRD-K16780204-001-01-6, 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide, 2-{[6-AMINO-1-(3-METHYLPHENYL)-4-OXO-1,4-DIHYDRO-2-PYRIMIDINYL]SULFANYL}-N~1~-(2-CYANOPHENYL)ACETAMIDE
| Molecular Formula | C20H17N5O2S |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 2.7256 |
| Topological Polar Surface Area | 113.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.1103 |
| Heavy Atoms | 28 |
| Complexity | 1133.9253 |
Chemical Identifiers
| CAS Number | 693228-80-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)N |
Product Overview
CBKinase1_003154 (CAS 693228-80-7), with molecular formula C20H17N5O2S and molecular weight 391.11 g/mol. IUPAC: 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide.
Chemical Property Profile of CBKinase1_003154
Property Insights of CBKinase1_003154
The XLogP value of 2.7256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003154. The TPSA of 113.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003154. Following Lipinski's Rule of Five, CBKinase1_003154 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_003154?
The CAS number of CBKinase1_003154 is 693228-80-7.
What is the molecular formula of CBKinase1_003154?
The molecular formula of CBKinase1_003154 is C20H17N5O2S.
What is the molecular weight of CBKinase1_003154?
The molecular weight of CBKinase1_003154 is 391.11 g/mol.
Where can I buy CBKinase1_003154?
You can request a quote for CBKinase1_003154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003154?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.