VU0630739-1
TL;DR: VU0630739-1 (CAS 877646-22-5) is a chemical compound with molecular formula C22H26ClN5O2 and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione
Also Known As: VU0630739-1, (Z)-8-(4-benzylpiperidin-1-yl)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F5032-0007, 8-(4-benzylpiperidin-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H26ClN5O2 |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 3.025 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1775 |
| Heavy Atoms | 30 |
| Complexity | 1179.9436 |
Chemical Identifiers
| CAS Number | 877646-22-5 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)/Cl |
Product Overview
VU0630739-1 (CAS 877646-22-5), with molecular formula C22H26ClN5O2 and molecular weight 427.18 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of VU0630739-1
Property Insights of VU0630739-1
The XLogP value of 3.025 indicates that VU0630739-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0630739-1. Following Lipinski's Rule of Five, VU0630739-1 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 VU0630739-1?
The CAS number of VU0630739-1 is 877646-22-5.
What is the molecular formula of VU0630739-1?
The molecular formula of VU0630739-1 is C22H26ClN5O2.
What is the molecular weight of VU0630739-1?
The molecular weight of VU0630739-1 is 427.18 g/mol.
Where can I buy VU0630739-1?
You can request a quote for VU0630739-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0630739-1?
Yes, KEHONG BIO provides custom synthesis services for VU0630739-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.