CBKinase1_007430
TL;DR: CBKinase1_007430 (CAS 497076-17-2) is a chemical compound with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
Also Known As: CBKinase1_007430, CBKinase1_019830, BRD-A87393058-001-01-1, 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide, 2-((4-amino-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
| Molecular Formula | C20H22N4OS2 |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.5176 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1235 |
| Heavy Atoms | 27 |
| Complexity | 986.5604 |
Chemical Identifiers
| CAS Number | 497076-17-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=NC(=NC(=C23)N)SC(C)C(=O)NC4=CC=CC=C4 |
Product Overview
CBKinase1_007430 (CAS 497076-17-2), with molecular formula C20H22N4OS2 and molecular weight 398.12 g/mol. IUPAC: 2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide.
Chemical Property Profile of CBKinase1_007430
Property Insights of CBKinase1_007430
The XLogP value of 4.5176 indicates that CBKinase1_007430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007430. Following Lipinski's Rule of Five, CBKinase1_007430 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_007430?
The CAS number of CBKinase1_007430 is 497076-17-2.
What is the molecular formula of CBKinase1_007430?
The molecular formula of CBKinase1_007430 is C20H22N4OS2.
What is the molecular weight of CBKinase1_007430?
The molecular weight of CBKinase1_007430 is 398.12 g/mol.
Where can I buy CBKinase1_007430?
You can request a quote for CBKinase1_007430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007430?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.