AB00091567-01
TL;DR: AB00091567-01 (CAS 317840-86-1) is a chemical compound with molecular formula C19H22ClN5O5 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: AB00091567-01, AB00091567-02, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H22ClN5O5 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 0.3532 |
| Topological Polar Surface Area | 114.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.13095 |
| Heavy Atoms | 30 |
| Complexity | 1147.062 |
Chemical Identifiers
| CAS Number | 317840-86-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
AB00091567-01 (CAS 317840-86-1), with molecular formula C19H22ClN5O5 and molecular weight 435.13 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of AB00091567-01
Property Insights of AB00091567-01
The XLogP value of 0.3532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00091567-01. The TPSA of 114.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00091567-01. Following Lipinski's Rule of Five, AB00091567-01 has 2 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 AB00091567-01?
The CAS number of AB00091567-01 is 317840-86-1.
What is the molecular formula of AB00091567-01?
The molecular formula of AB00091567-01 is C19H22ClN5O5.
What is the molecular weight of AB00091567-01?
The molecular weight of AB00091567-01 is 435.13 g/mol.
Where can I buy AB00091567-01?
You can request a quote for AB00091567-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00091567-01?
Yes, KEHONG BIO provides custom synthesis services for AB00091567-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.