BAS 00340029
TL;DR: BAS 00340029 (CAS 301353-77-5) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid
Also Known As: BAS 00340029, AB00124360-02, F0017-0897, [(7-isobutyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetic acid, 2-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 301353-77-5 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C |
| InChIKey | QLHNSNYBSZJJFB-UHFFFAOYSA-N |
Product Overview
BAS 00340029 (CAS 301353-77-5), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: 2-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]sulfanylacetic acid.
Chemical Property Profile of BAS 00340029
Property Insights of BAS 00340029
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340029. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00340029. Following Lipinski's Rule of Five, BAS 00340029 has 2 hydrogen bond donor(s) and 6 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 00340029?
The CAS number of BAS 00340029 is 301353-77-5.
What is the molecular formula of BAS 00340029?
The molecular formula of BAS 00340029 is C12H16N4O4S.
What is the molecular weight of BAS 00340029?
The molecular weight of BAS 00340029 is 312.09 g/mol.
Where can I buy BAS 00340029?
You can request a quote for BAS 00340029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340029?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.