BAS 00340047
TL;DR: BAS 00340047 (CAS 96902-23-7) is a chemical compound with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid
Also Known As: BAS 00340047, 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid, F0017-0995, F0373-0221, 3-(3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid
| Molecular Formula | C14H19N5O4 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1437 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 96902-23-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC(=O)O |
| InChIKey | XRBACLQDPXWCJQ-UHFFFAOYSA-N |
Product Overview
BAS 00340047 (CAS 96902-23-7), with molecular formula C14H19N5O4 and molecular weight 321.14 g/mol. IUPAC: 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid.
Chemical Property Profile of BAS 00340047
Property Insights of BAS 00340047
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00340047. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00340047. Following Lipinski's Rule of Five, BAS 00340047 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 00340047?
The CAS number of BAS 00340047 is 96902-23-7.
What is the molecular formula of BAS 00340047?
The molecular formula of BAS 00340047 is C14H19N5O4.
What is the molecular weight of BAS 00340047?
The molecular weight of BAS 00340047 is 321.14 g/mol.
Where can I buy BAS 00340047?
You can request a quote for BAS 00340047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00340047?
Yes, KEHONG BIO provides custom synthesis services for BAS 00340047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.