BAS 05914493
TL;DR: BAS 05914493 (CAS 476480-05-4) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 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-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: BAS 05914493, 1,3-DIMETHYL-7-(4-METHYLBENZYL)-8-[(1-METHYL-2-OXOPROPYL)SULFANYL]-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 1,3-Dimethyl-7-(4-methylbenzyl)-8-((3-oxobutan-2-yl)thio)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione, 1,3-DIMETHYL-7-(4-METHYLBENZYL)-8-((1-METHYL-2-OXOPROPYL)SULFANYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 1.86002 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 1138.9468 |
Chemical Identifiers
| CAS Number | 476480-05-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SC(C)C(=O)C)N(C(=O)N(C3=O)C)C |
Product Overview
BAS 05914493 (CAS 476480-05-4), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 05914493
Property Insights of BAS 05914493
The XLogP value of 1.86002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05914493. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914493. Following Lipinski's Rule of Five, BAS 05914493 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 05914493?
The CAS number of BAS 05914493 is 476480-05-4.
What is the molecular formula of BAS 05914493?
The molecular formula of BAS 05914493 is C19H22N4O3S.
What is the molecular weight of BAS 05914493?
The molecular weight of BAS 05914493 is 386.14 g/mol.
Where can I buy BAS 05914493?
You can request a quote for BAS 05914493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914493?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.