CBKinase1_008889
TL;DR: CBKinase1_008889 (CAS 327098-23-7) is a chemical compound with molecular formula C17H20ClN5O4 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: CBKinase1_008889, CBKinase1_021289, AE-641/10753031, 7-(4-chlorobenzyl)-8-[(2,3-dihydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, BRD-A80263301-001-01-8
| Molecular Formula | C17H20ClN5O4 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | -0.0995 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1204 |
| Heavy Atoms | 27 |
| Complexity | 1083.8724 |
Chemical Identifiers
| CAS Number | 327098-23-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(CO)O)CC3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_008889 (CAS 327098-23-7), with molecular formula C17H20ClN5O4 and molecular weight 393.12 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-(2,3-dihydroxypropylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_008889
Property Insights of CBKinase1_008889
The XLogP value of -0.0995 indicates that CBKinase1_008889 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008889. Following Lipinski's Rule of Five, CBKinase1_008889 has 3 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_008889?
The CAS number of CBKinase1_008889 is 327098-23-7.
What is the molecular formula of CBKinase1_008889?
The molecular formula of CBKinase1_008889 is C17H20ClN5O4.
What is the molecular weight of CBKinase1_008889?
The molecular weight of CBKinase1_008889 is 393.12 g/mol.
Where can I buy CBKinase1_008889?
You can request a quote for CBKinase1_008889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008889?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.