BAS 00491876
TL;DR: BAS 00491876 (CAS 328068-77-5) is a chemical compound with molecular formula C12H15ClN4O2S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-3-chlorobut-2-enyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00491876, 7-[(E)-3-chlorobut-2-enyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione, (E)-7-(3-chlorobut-2-en-1-yl)-8-(ethylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-3-chlorobut-2-en-1-yl]-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H15ClN4O2S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 1.6779 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.06042 |
| Heavy Atoms | 20 |
| Complexity | 783.07684 |
Chemical Identifiers
| CAS Number | 328068-77-5 |
|---|---|
| SMILES | CCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00491876 (CAS 328068-77-5), with molecular formula C12H15ClN4O2S and molecular weight 314.06 g/mol. IUPAC: 7-[(E)-3-chlorobut-2-enyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00491876
Property Insights of BAS 00491876
The XLogP value of 1.6779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00491876. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00491876. Following Lipinski's Rule of Five, BAS 00491876 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 00491876?
The CAS number of BAS 00491876 is 328068-77-5.
What is the molecular formula of BAS 00491876?
The molecular formula of BAS 00491876 is C12H15ClN4O2S.
What is the molecular weight of BAS 00491876?
The molecular weight of BAS 00491876 is 314.06 g/mol.
Where can I buy BAS 00491876?
You can request a quote for BAS 00491876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00491876?
Yes, KEHONG BIO provides custom synthesis services for BAS 00491876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.