CBKinase1_012317
TL;DR: CBKinase1_012317 (CAS 847847-01-2) is a chemical compound with molecular formula C21H21ClN6O3 and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
Also Known As: CBKinase1_012317, CBKinase1_024717, BRD-K34116606-001-01-5, 7-(2-chloro-5-methoxybenzyl)-1,3-dimethyl-8-[(2-pyridinylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chloro-5-methoxybenzyl)-1,3-dimethyl-8-((pyridin-2-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H21ClN6O3 |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 2.1511 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.13635 |
| Heavy Atoms | 31 |
| Complexity | 1374.1271 |
Chemical Identifiers
| CAS Number | 847847-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=C(C=CC(=C4)OC)Cl |
Product Overview
CBKinase1_012317 (CAS 847847-01-2), with molecular formula C21H21ClN6O3 and molecular weight 440.14 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of CBKinase1_012317
Property Insights of CBKinase1_012317
The XLogP value of 2.1511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012317. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012317. Following Lipinski's Rule of Five, CBKinase1_012317 has 1 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_012317?
The CAS number of CBKinase1_012317 is 847847-01-2.
What is the molecular formula of CBKinase1_012317?
The molecular formula of CBKinase1_012317 is C21H21ClN6O3.
What is the molecular weight of CBKinase1_012317?
The molecular weight of CBKinase1_012317 is 440.14 g/mol.
Where can I buy CBKinase1_012317?
You can request a quote for CBKinase1_012317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012317?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.