BAS 10853972
TL;DR: BAS 10853972 (CAS 851940-14-2) is a chemical compound with molecular formula C24H24ClN5O2 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 10853972, 7-(3-chlorobenzyl)-8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione, 7-(3-chlorobenzyl)-8-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C24H24ClN5O2 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 2.6937 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.16187 |
| Heavy Atoms | 32 |
| Complexity | 1449.2849 |
Chemical Identifiers
| CAS Number | 851940-14-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC5=CC(=CC=C5)Cl |
Product Overview
BAS 10853972 (CAS 851940-14-2), with molecular formula C24H24ClN5O2 and molecular weight 449.16 g/mol. IUPAC: 7-[(3-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 10853972
Property Insights of BAS 10853972
The XLogP value of 2.6937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10853972. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10853972. Following Lipinski's Rule of Five, BAS 10853972 has 0 hydrogen bond donor(s) and 4 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 10853972?
The CAS number of BAS 10853972 is 851940-14-2.
What is the molecular formula of BAS 10853972?
The molecular formula of BAS 10853972 is C24H24ClN5O2.
What is the molecular weight of BAS 10853972?
The molecular weight of BAS 10853972 is 449.16 g/mol.
Where can I buy BAS 10853972?
You can request a quote for BAS 10853972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853972?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.