UPCMLD0ENAT5831730:001
TL;DR: UPCMLD0ENAT5831730:001 (CAS 442864-76-8) is a chemical compound with molecular formula C17H26N6O3 and molecular weight 362.21 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-pentylpurin-8-yl)piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5831730:001, BAS 04914692, 1-(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, AB00394456-04, AB00394456-10
| Molecular Formula | C17H26N6O3 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.20663 |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 442864-76-8 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)NC2=O)C |
| InChIKey | UPCMMTATXKGXIR-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5831730:001 (CAS 442864-76-8), with molecular formula C17H26N6O3 and molecular weight 362.21 g/mol. IUPAC: 1-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5831730:001
Property Insights of UPCMLD0ENAT5831730:001
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5831730:001. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5831730:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831730:001 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 UPCMLD0ENAT5831730:001?
The CAS number of UPCMLD0ENAT5831730:001 is 442864-76-8.
What is the molecular formula of UPCMLD0ENAT5831730:001?
The molecular formula of UPCMLD0ENAT5831730:001 is C17H26N6O3.
What is the molecular weight of UPCMLD0ENAT5831730:001?
The molecular weight of UPCMLD0ENAT5831730:001 is 362.21 g/mol.
Where can I buy UPCMLD0ENAT5831730:001?
You can request a quote for UPCMLD0ENAT5831730:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831730:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831730:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.