BAS 10853965
TL;DR: BAS 10853965 (CAS 851940-03-9) is a chemical compound with molecular formula C21H26ClN5O3 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 10853965, 7-[(3-chlorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpurine-2,6-dione, 7-(3-chlorobenzyl)-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-CHLOROPHENYL)METHYL]-8-[(2,6-DIMETHYLMORPHOLIN-4-YL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl -1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C21H26ClN5O3 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 1.7446 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.17242 |
| Heavy Atoms | 30 |
| Complexity | 1201.7979 |
Chemical Identifiers
| CAS Number | 851940-03-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
BAS 10853965 (CAS 851940-03-9), with molecular formula C21H26ClN5O3 and molecular weight 431.17 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 10853965
Property Insights of BAS 10853965
The XLogP value of 1.7446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853965. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853965. Following Lipinski's Rule of Five, BAS 10853965 has 0 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 BAS 10853965?
The CAS number of BAS 10853965 is 851940-03-9.
What is the molecular formula of BAS 10853965?
The molecular formula of BAS 10853965 is C21H26ClN5O3.
What is the molecular weight of BAS 10853965?
The molecular weight of BAS 10853965 is 431.17 g/mol.
Where can I buy BAS 10853965?
You can request a quote for BAS 10853965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853965?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.