AB01278695-01
TL;DR: AB01278695-01 (CAS 331675-57-1) is a chemical compound with molecular formula C21H27ClN4O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione
Also Known As: AB01278695-01, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-hexylsulfanyl-3-methyl-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(hexylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H27ClN4O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 3.189 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 466.14417 |
| Heavy Atoms | 31 |
| Complexity | 1123.3407 |
Chemical Identifiers
| CAS Number | 331675-57-1 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
AB01278695-01 (CAS 331675-57-1), with molecular formula C21H27ClN4O4S and molecular weight 466.14 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of AB01278695-01
Property Insights of AB01278695-01
The XLogP value of 3.189 indicates that AB01278695-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01278695-01. Following Lipinski's Rule of Five, AB01278695-01 has 2 hydrogen bond donor(s) and 6 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 AB01278695-01?
The CAS number of AB01278695-01 is 331675-57-1.
What is the molecular formula of AB01278695-01?
The molecular formula of AB01278695-01 is C21H27ClN4O4S.
What is the molecular weight of AB01278695-01?
The molecular weight of AB01278695-01 is 466.14 g/mol.
Where can I buy AB01278695-01?
You can request a quote for AB01278695-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01278695-01?
Yes, KEHONG BIO provides custom synthesis services for AB01278695-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.