CBKinase1_011272
TL;DR: CBKinase1_011272 (CAS 835888-61-4) is a chemical compound with molecular formula C17H21ClN6O2 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-aminopropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: CBKinase1_011272, CBKinase1_023672, BRD-K11623138-001-01-4, 8-[(3-aminopropyl)amino]-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((3-aminopropyl)amino)-1-(2-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H21ClN6O2 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 0.8961 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.14145 |
| Heavy Atoms | 26 |
| Complexity | 1065.526 |
Chemical Identifiers
| CAS Number | 835888-61-4 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCN)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C |
Product Overview
CBKinase1_011272 (CAS 835888-61-4), with molecular formula C17H21ClN6O2 and molecular weight 376.14 g/mol. IUPAC: 8-(3-aminopropylamino)-1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_011272
Property Insights of CBKinase1_011272
The XLogP value of 0.8961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011272. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011272. Following Lipinski's Rule of Five, CBKinase1_011272 has 2 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_011272?
The CAS number of CBKinase1_011272 is 835888-61-4.
What is the molecular formula of CBKinase1_011272?
The molecular formula of CBKinase1_011272 is C17H21ClN6O2.
What is the molecular weight of CBKinase1_011272?
The molecular weight of CBKinase1_011272 is 376.14 g/mol.
Where can I buy CBKinase1_011272?
You can request a quote for CBKinase1_011272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011272?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.