BAS 00491884
TL;DR: BAS 00491884 (CAS 316358-60-8) is a chemical compound with molecular formula C24H33ClN4O4S and molecular weight 508.19 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-nonylsulfanylpurine-2,6-dione
Also Known As: BAS 00491884, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(nonylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione, 7-(3-(4-CL-PHENOXY)-2-HO-PR)-3-ME-8-NONYLSULFANYL-3,7-DIHYDRO-PURINE-2,6-DIONE, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(nonylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C24H33ClN4O4S |
|---|---|
| Molecular Weight | 508.19 g/mol |
| LogP | 4.3593 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 508.1911 |
| Heavy Atoms | 34 |
| Complexity | 1172.6602 |
Chemical Identifiers
| CAS Number | 316358-60-8 |
|---|---|
| SMILES | CCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
BAS 00491884 (CAS 316358-60-8), with molecular formula C24H33ClN4O4S and molecular weight 508.19 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00491884
Property Insights of BAS 00491884
The XLogP value of 4.3593 indicates that BAS 00491884 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 00491884. Following Lipinski's Rule of Five, BAS 00491884 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00491884?
The CAS number of BAS 00491884 is 316358-60-8.
What is the molecular formula of BAS 00491884?
The molecular formula of BAS 00491884 is C24H33ClN4O4S.
What is the molecular weight of BAS 00491884?
The molecular weight of BAS 00491884 is 508.19 g/mol.
Where can I buy BAS 00491884?
You can request a quote for BAS 00491884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491884?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.