BAS 04427087
TL;DR: BAS 04427087 (CAS 460360-78-5) is a chemical compound with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04427087, 1,3-Dimethyl-7-(4-methyl-benzyl)-8-(2-piperidin-1-yl-ethylsulfanyl)-3,7-dihydro-purine-2,6-dione, 1,3-dimethyl-7-(4-methylbenzyl)-8-(2-piperidinoethylthio)xanthine, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione, 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H29N5O2S |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.2042 |
| Heavy Atoms | 30 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 460360-78-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)N(C3=O)C)C |
| InChIKey | WZFNMLSFEYKFES-UHFFFAOYSA-N |
Product Overview
BAS 04427087 (CAS 460360-78-5), with molecular formula C22H29N5O2S and molecular weight 427.20 g/mol. IUPAC: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 04427087
Property Insights of BAS 04427087
The XLogP value of 3.3 indicates that BAS 04427087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04427087. Following Lipinski's Rule of Five, BAS 04427087 has 0 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 04427087?
The CAS number of BAS 04427087 is 460360-78-5.
What is the molecular formula of BAS 04427087?
The molecular formula of BAS 04427087 is C22H29N5O2S.
What is the molecular weight of BAS 04427087?
The molecular weight of BAS 04427087 is 427.20 g/mol.
Where can I buy BAS 04427087?
You can request a quote for BAS 04427087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04427087?
Yes, KEHONG BIO provides custom synthesis services for BAS 04427087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.