BAS 00491822
TL;DR: BAS 00491822 (CAS 331725-87-2) is a chemical compound with molecular formula C16H25ClN4O3S and molecular weight 388.13 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-heptyl-3-methylpurine-2,6-dione
Also Known As: BAS 00491822, 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-heptyl-3-methylpurine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(3-chloro-2-hydroxypropylthio)-7-heptyl-3-methyl-1,3,7-trihydropurine-2,6-di one
| Molecular Formula | C16H25ClN4O3S |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 2.0855 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.13358 |
| Heavy Atoms | 25 |
| Complexity | 814.0383 |
Chemical Identifiers
| CAS Number | 331725-87-2 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
BAS 00491822 (CAS 331725-87-2), with molecular formula C16H25ClN4O3S and molecular weight 388.13 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-heptyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00491822
Property Insights of BAS 00491822
The XLogP value of 2.0855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491822. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491822. Following Lipinski's Rule of Five, BAS 00491822 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 00491822?
The CAS number of BAS 00491822 is 331725-87-2.
What is the molecular formula of BAS 00491822?
The molecular formula of BAS 00491822 is C16H25ClN4O3S.
What is the molecular weight of BAS 00491822?
The molecular weight of BAS 00491822 is 388.13 g/mol.
Where can I buy BAS 00491822?
You can request a quote for BAS 00491822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491822?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.