BAS 00383960
TL;DR: BAS 00383960 (CAS 313273-97-1) is a chemical compound with molecular formula C23H31N5O3S and molecular weight 457.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide
Also Known As: BAS 00383960, 2-[(3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide, 2-((3-methyl-7-nonyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide, 2-(3-methyl-7-nonyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio))-N-phenylacetamide
| Molecular Formula | C23H31N5O3S |
|---|---|
| Molecular Weight | 457.21 g/mol |
| LogP | 3.9047 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 457.21475 |
| Heavy Atoms | 32 |
| Complexity | 1150.1337 |
Chemical Identifiers
| CAS Number | 313273-97-1 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 00383960 (CAS 313273-97-1), with molecular formula C23H31N5O3S and molecular weight 457.21 g/mol. IUPAC: 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide.
Chemical Property Profile of BAS 00383960
Property Insights of BAS 00383960
The XLogP value of 3.9047 indicates that BAS 00383960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00383960. Following Lipinski's Rule of Five, BAS 00383960 has 2 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 00383960?
The CAS number of BAS 00383960 is 313273-97-1.
What is the molecular formula of BAS 00383960?
The molecular formula of BAS 00383960 is C23H31N5O3S.
What is the molecular weight of BAS 00383960?
The molecular weight of BAS 00383960 is 457.21 g/mol.
Where can I buy BAS 00383960?
You can request a quote for BAS 00383960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00383960?
Yes, KEHONG BIO provides custom synthesis services for BAS 00383960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.