BAS 00383957
TL;DR: BAS 00383957 (CAS 330181-25-4) is a chemical compound with molecular formula C22H28N6O2S and molecular weight 440.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione
Also Known As: BAS 00383957, 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione, 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione, 8-benzimidazol-2-ylthio-3-methyl-7-nonyl-1,3,7-trihydropurine-2,6-dione, 8-((1H-benzo[d]imidazol-2-yl)thio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H28N6O2S |
|---|---|
| Molecular Weight | 440.20 g/mol |
| LogP | 4.2014 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.19943 |
| Heavy Atoms | 31 |
| Complexity | 1266.0546 |
Chemical Identifiers
| CAS Number | 330181-25-4 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C |
Product Overview
BAS 00383957 (CAS 330181-25-4), with molecular formula C22H28N6O2S and molecular weight 440.20 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of BAS 00383957
Property Insights of BAS 00383957
The XLogP value of 4.2014 indicates that BAS 00383957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00383957. Following Lipinski's Rule of Five, BAS 00383957 has 2 hydrogen bond donor(s) and 5 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 00383957?
The CAS number of BAS 00383957 is 330181-25-4.
What is the molecular formula of BAS 00383957?
The molecular formula of BAS 00383957 is C22H28N6O2S.
What is the molecular weight of BAS 00383957?
The molecular weight of BAS 00383957 is 440.20 g/mol.
Where can I buy BAS 00383957?
You can request a quote for BAS 00383957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00383957?
Yes, KEHONG BIO provides custom synthesis services for BAS 00383957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.