BAS 01122490
TL;DR: BAS 01122490 (CAS 332897-93-5) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 01122490, AB00137278-02, F0424-0001, 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione, (E)-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 3.01472 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1089.3071 |
Chemical Identifiers
| CAS Number | 332897-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC/C=C(\C)/Cl)N(C(=O)NC3=O)C |
Product Overview
BAS 01122490 (CAS 332897-93-5), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 01122490
Property Insights of BAS 01122490
The XLogP value of 3.01472 indicates that BAS 01122490 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122490. Following Lipinski's Rule of Five, BAS 01122490 has 1 hydrogen bond donor(s) and 4 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 01122490?
The CAS number of BAS 01122490 is 332897-93-5.
What is the molecular formula of BAS 01122490?
The molecular formula of BAS 01122490 is C18H19ClN4O2S.
What is the molecular weight of BAS 01122490?
The molecular weight of BAS 01122490 is 390.09 g/mol.
Where can I buy BAS 01122490?
You can request a quote for BAS 01122490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122490?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.