BAS 00844520
TL;DR: BAS 00844520 (CAS 329700-41-6) is a chemical compound with molecular formula C15H23ClN4O3S and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexyl-3-methylpurine-2,6-dione
Also Known As: BAS 00844520, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexyl-3-methylpurine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-7-hexyl-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C15H23ClN4O3S |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 1.6954 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.11795 |
| Heavy Atoms | 24 |
| Complexity | 798.3387 |
Chemical Identifiers
| CAS Number | 329700-41-6 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00844520 (CAS 329700-41-6), with molecular formula C15H23ClN4O3S and molecular weight 374.12 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00844520
Property Insights of BAS 00844520
The XLogP value of 1.6954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00844520. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00844520. Following Lipinski's Rule of Five, BAS 00844520 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 00844520?
The CAS number of BAS 00844520 is 329700-41-6.
What is the molecular formula of BAS 00844520?
The molecular formula of BAS 00844520 is C15H23ClN4O3S.
What is the molecular weight of BAS 00844520?
The molecular weight of BAS 00844520 is 374.12 g/mol.
Where can I buy BAS 00844520?
You can request a quote for BAS 00844520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00844520?
Yes, KEHONG BIO provides custom synthesis services for BAS 00844520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.