A4007/0170852
TL;DR: A4007/0170852 (CAS 389060-29-1) is a chemical compound with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethylpurine-2,6-dione
Also Known As: A4007/0170852, 7-(2-chlorobenzyl)-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C19H23ClN6O2 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 0.9351 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1571 |
| Heavy Atoms | 28 |
| Complexity | 1137.757 |
Chemical Identifiers
| CAS Number | 389060-29-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4Cl |
Product Overview
A4007/0170852 (CAS 389060-29-1), with molecular formula C19H23ClN6O2 and molecular weight 402.16 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of A4007/0170852
Property Insights of A4007/0170852
The XLogP value of 0.9351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4007/0170852. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A4007/0170852. Following Lipinski's Rule of Five, A4007/0170852 has 1 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 A4007/0170852?
The CAS number of A4007/0170852 is 389060-29-1.
What is the molecular formula of A4007/0170852?
The molecular formula of A4007/0170852 is C19H23ClN6O2.
What is the molecular weight of A4007/0170852?
The molecular weight of A4007/0170852 is 402.16 g/mol.
Where can I buy A4007/0170852?
You can request a quote for A4007/0170852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4007/0170852?
Yes, KEHONG BIO provides custom synthesis services for A4007/0170852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.