AB00675530-01
TL;DR: AB00675530-01 (CAS 671818-76-1) is a chemical compound with molecular formula C21H20ClN5O3 and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione
Also Known As: AB00675530-01, 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-3-methyl-1,3,7-t rihydropurine-2,6-dione
| Molecular Formula | C21H20ClN5O3 |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 2.7457 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.12546 |
| Heavy Atoms | 30 |
| Complexity | 1321.4673 |
Chemical Identifiers
| CAS Number | 671818-76-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4Cl |
Product Overview
AB00675530-01 (CAS 671818-76-1), with molecular formula C21H20ClN5O3 and molecular weight 425.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione.
Chemical Property Profile of AB00675530-01
Property Insights of AB00675530-01
The XLogP value of 2.7457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00675530-01. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675530-01. Following Lipinski's Rule of Five, AB00675530-01 has 2 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 AB00675530-01?
The CAS number of AB00675530-01 is 671818-76-1.
What is the molecular formula of AB00675530-01?
The molecular formula of AB00675530-01 is C21H20ClN5O3.
What is the molecular weight of AB00675530-01?
The molecular weight of AB00675530-01 is 425.13 g/mol.
Where can I buy AB00675530-01?
You can request a quote for AB00675530-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675530-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675530-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.