BAS 04914678
TL;DR: BAS 04914678 (CAS 442864-70-2) is a chemical compound with molecular formula C15H20N6O3 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperidine-4-carboxamide
Also Known As: BAS 04914678, UPCMLD0ENAT5832985:001, VU0488983-1, 1-(7-allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, AB01309692-01
| Molecular Formula | C15H20N6O3 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.1597 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 442864-70-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CC=C |
| InChIKey | IPWXHBIWJCCHLA-UHFFFAOYSA-N |
Product Overview
BAS 04914678 (CAS 442864-70-2), with molecular formula C15H20N6O3 and molecular weight 332.16 g/mol. IUPAC: 1-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperidine-4-carboxamide.
Chemical Property Profile of BAS 04914678
Property Insights of BAS 04914678
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914678. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914678. Following Lipinski's Rule of Five, BAS 04914678 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 04914678?
The CAS number of BAS 04914678 is 442864-70-2.
What is the molecular formula of BAS 04914678?
The molecular formula of BAS 04914678 is C15H20N6O3.
What is the molecular weight of BAS 04914678?
The molecular weight of BAS 04914678 is 332.16 g/mol.
Where can I buy BAS 04914678?
You can request a quote for BAS 04914678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914678?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.