BAS 07401759
TL;DR: BAS 07401759 (CAS 673444-28-5) is a chemical compound with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione
Also Known As: BAS 07401759, AB00675512-01, AB00675512-02, 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H20ClN5O2 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 2.6877 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.13055 |
| Heavy Atoms | 30 |
| Complexity | 1384.5448 |
Chemical Identifiers
| CAS Number | 673444-28-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5Cl |
Product Overview
BAS 07401759 (CAS 673444-28-5), with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 07401759
Property Insights of BAS 07401759
The XLogP value of 2.6877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07401759. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401759. Following Lipinski's Rule of Five, BAS 07401759 has 1 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 07401759?
The CAS number of BAS 07401759 is 673444-28-5.
What is the molecular formula of BAS 07401759?
The molecular formula of BAS 07401759 is C22H20ClN5O2.
What is the molecular weight of BAS 07401759?
The molecular weight of BAS 07401759 is 421.13 g/mol.
Where can I buy BAS 07401759?
You can request a quote for BAS 07401759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401759?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.