AB00787107-01
TL;DR: AB00787107-01 (CAS 303971-35-9) is a chemical compound with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
Also Known As: AB00787107-01, 7-(4-chlorobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, (E)-7-(4-chlorobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H19ClN6O3 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.5796 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.12073 |
| Heavy Atoms | 31 |
| Complexity | 1368.0002 |
Chemical Identifiers
| CAS Number | 303971-35-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Cl |
Product Overview
AB00787107-01 (CAS 303971-35-9), with molecular formula C21H19ClN6O3 and molecular weight 438.12 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of AB00787107-01
Property Insights of AB00787107-01
The XLogP value of 2.5796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00787107-01. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787107-01. Following Lipinski's Rule of Five, AB00787107-01 has 2 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 AB00787107-01?
The CAS number of AB00787107-01 is 303971-35-9.
What is the molecular formula of AB00787107-01?
The molecular formula of AB00787107-01 is C21H19ClN6O3.
What is the molecular weight of AB00787107-01?
The molecular weight of AB00787107-01 is 438.12 g/mol.
Where can I buy AB00787107-01?
You can request a quote for AB00787107-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787107-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787107-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.