BAS 01107484
TL;DR: BAS 01107484 (CAS 303969-77-9) is a chemical compound with molecular formula C22H19N5O5S and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione
Also Known As: BAS 01107484, 3-methyl-7-(4-methylbenzyl)-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione, F0381-4970, 3-methyl-7-[(4-methylphenyl)methyl]-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione
| Molecular Formula | C22H19N5O5S |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 2.66322 |
| Topological Polar Surface Area | 132.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.1107 |
| Heavy Atoms | 33 |
| Complexity | 1483.3779 |
Chemical Identifiers
| CAS Number | 303969-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)NC3=O)C |
Product Overview
BAS 01107484 (CAS 303969-77-9), with molecular formula C22H19N5O5S and molecular weight 465.11 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 01107484
Property Insights of BAS 01107484
The XLogP value of 2.66322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01107484. The TPSA of 132.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107484. Following Lipinski's Rule of Five, BAS 01107484 has 1 hydrogen bond donor(s) and 7 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 01107484?
The CAS number of BAS 01107484 is 303969-77-9.
What is the molecular formula of BAS 01107484?
The molecular formula of BAS 01107484 is C22H19N5O5S.
What is the molecular weight of BAS 01107484?
The molecular weight of BAS 01107484 is 465.11 g/mol.
Where can I buy BAS 01107484?
You can request a quote for BAS 01107484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107484?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.