UPCMLD0ENAT5801468:001
TL;DR: UPCMLD0ENAT5801468:001 (CAS 896594-63-1) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(furan-2-ylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5801468:001, F3235-1402, 8-(furan-2-ylmethyl)-1,7-dimethyl-3-(2-(piperidin-1-yl)ethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(2-furylmethyl)-1,7-dimethyl-3-(2-piperidylethyl)-1,3,5-trihydro-4-imidazoli no[1,2-h]purine-2,4-dione
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 1.58502 |
| Topological Polar Surface Area | 82.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1315.2013 |
Chemical Identifiers
| CAS Number | 896594-63-1 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CC4=CC=CO4)N(C(=O)N(C3=O)CCN5CCCCC5)C |
Product Overview
UPCMLD0ENAT5801468:001 (CAS 896594-63-1), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 6-(furan-2-ylmethyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5801468:001
Property Insights of UPCMLD0ENAT5801468:001
The XLogP value of 1.58502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801468:001. The TPSA of 82.61 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801468:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801468:001 has 0 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 UPCMLD0ENAT5801468:001?
The CAS number of UPCMLD0ENAT5801468:001 is 896594-63-1.
What is the molecular formula of UPCMLD0ENAT5801468:001?
The molecular formula of UPCMLD0ENAT5801468:001 is C21H26N6O3.
What is the molecular weight of UPCMLD0ENAT5801468:001?
The molecular weight of UPCMLD0ENAT5801468:001 is 410.21 g/mol.
Where can I buy UPCMLD0ENAT5801468:001?
You can request a quote for UPCMLD0ENAT5801468:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801468:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801468:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.