BAS 00288330
TL;DR: BAS 00288330 (CAS 313530-86-8) is a chemical compound with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 00288330, 3-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, F0372-0756, 3-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
| Molecular Formula | C14H20N4O4S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.1205 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 313530-86-8 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C |
| InChIKey | QXCWGGHMZUIVRZ-UHFFFAOYSA-N |
Product Overview
BAS 00288330 (CAS 313530-86-8), with molecular formula C14H20N4O4S and molecular weight 340.12 g/mol. IUPAC: 3-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of BAS 00288330
Property Insights of BAS 00288330
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00288330. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00288330. Following Lipinski's Rule of Five, BAS 00288330 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 00288330?
The CAS number of BAS 00288330 is 313530-86-8.
What is the molecular formula of BAS 00288330?
The molecular formula of BAS 00288330 is C14H20N4O4S.
What is the molecular weight of BAS 00288330?
The molecular weight of BAS 00288330 is 340.12 g/mol.
Where can I buy BAS 00288330?
You can request a quote for BAS 00288330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288330?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.