ChemDiv1_005014
TL;DR: ChemDiv1_005014 (CAS 333755-38-7) is a chemical compound with molecular formula C22H29N5O5 and molecular weight 443.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: ChemDiv1_005014, BAS 02999192, VU0091678-2, F0887-0128, 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione
| Molecular Formula | C22H29N5O5 |
|---|---|
| Molecular Weight | 443.22 g/mol |
| LogP | 0.8725 |
| Topological Polar Surface Area | 103.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.21686 |
| Heavy Atoms | 32 |
| Complexity | 1204.6501 |
Chemical Identifiers
| CAS Number | 333755-38-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COC4=CC=C(C=C4)OC)O |
Product Overview
ChemDiv1_005014 (CAS 333755-38-7), with molecular formula C22H29N5O5 and molecular weight 443.22 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005014
Property Insights of ChemDiv1_005014
The XLogP value of 0.8725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005014. The TPSA of 103.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005014. Following Lipinski's Rule of Five, ChemDiv1_005014 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_005014?
The CAS number of ChemDiv1_005014 is 333755-38-7.
What is the molecular formula of ChemDiv1_005014?
The molecular formula of ChemDiv1_005014 is C22H29N5O5.
What is the molecular weight of ChemDiv1_005014?
The molecular weight of ChemDiv1_005014 is 443.22 g/mol.
Where can I buy ChemDiv1_005014?
You can request a quote for ChemDiv1_005014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005014?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.