BAS 00491883
TL;DR: BAS 00491883 (CAS 327170-47-8) is a chemical compound with molecular formula C23H31ClN4O4S and molecular weight 494.18 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-octylsulfanylpurine-2,6-dione
Also Known As: BAS 00491883, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-octylsulfanylpurine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-(octylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C23H31ClN4O4S |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 3.9692 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 494.17545 |
| Heavy Atoms | 33 |
| Complexity | 1156.2083 |
Chemical Identifiers
| CAS Number | 327170-47-8 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00491883 (CAS 327170-47-8), with molecular formula C23H31ClN4O4S and molecular weight 494.18 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-octylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00491883
Property Insights of BAS 00491883
The XLogP value of 3.9692 indicates that BAS 00491883 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 BAS 00491883. Following Lipinski's Rule of Five, BAS 00491883 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 BAS 00491883?
The CAS number of BAS 00491883 is 327170-47-8.
What is the molecular formula of BAS 00491883?
The molecular formula of BAS 00491883 is C23H31ClN4O4S.
What is the molecular weight of BAS 00491883?
The molecular weight of BAS 00491883 is 494.18 g/mol.
Where can I buy BAS 00491883?
You can request a quote for BAS 00491883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491883?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.