BAS 00341119
TL;DR: BAS 00341119 (CAS 313552-38-4) is a chemical compound with molecular formula C21H25N5O2S2 and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione
Also Known As: BAS 00341119, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione, 8-(benzo[d]thiazol-2-ylthio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione, 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C21H25N5O2S2 |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 4.5447 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.14496 |
| Heavy Atoms | 30 |
| Complexity | 1251.2627 |
Chemical Identifiers
| CAS Number | 313552-38-4 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C |
Product Overview
BAS 00341119 (CAS 313552-38-4), with molecular formula C21H25N5O2S2 and molecular weight 443.14 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octylpurine-2,6-dione.
Chemical Property Profile of BAS 00341119
Property Insights of BAS 00341119
The XLogP value of 4.5447 indicates that BAS 00341119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00341119. Following Lipinski's Rule of Five, BAS 00341119 has 1 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 00341119?
The CAS number of BAS 00341119 is 313552-38-4.
What is the molecular formula of BAS 00341119?
The molecular formula of BAS 00341119 is C21H25N5O2S2.
What is the molecular weight of BAS 00341119?
The molecular weight of BAS 00341119 is 443.14 g/mol.
Where can I buy BAS 00341119?
You can request a quote for BAS 00341119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00341119?
Yes, KEHONG BIO provides custom synthesis services for BAS 00341119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.