AB00672655-01
TL;DR: AB00672655-01 (CAS 375356-94-8) is a chemical compound with molecular formula C21H26ClN5O5S and molecular weight 495.13 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-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: AB00672655-01, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione, F0823-0021, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H26ClN5O5S |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 0.9409 |
| Topological Polar Surface Area | 114.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.1343 |
| Heavy Atoms | 33 |
| Complexity | 1202.7063 |
Chemical Identifiers
| CAS Number | 375356-94-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
AB00672655-01 (CAS 375356-94-8), with molecular formula C21H26ClN5O5S and molecular weight 495.13 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of AB00672655-01
Property Insights of AB00672655-01
The XLogP value of 0.9409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672655-01. The TPSA of 114.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672655-01. Following Lipinski's Rule of Five, AB00672655-01 has 2 hydrogen bond donor(s) and 8 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 AB00672655-01?
The CAS number of AB00672655-01 is 375356-94-8.
What is the molecular formula of AB00672655-01?
The molecular formula of AB00672655-01 is C21H26ClN5O5S.
What is the molecular weight of AB00672655-01?
The molecular weight of AB00672655-01 is 495.13 g/mol.
Where can I buy AB00672655-01?
You can request a quote for AB00672655-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672655-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672655-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.