UPCMLD0ENAT5857634:001
TL;DR: UPCMLD0ENAT5857634:001 (CAS 896823-41-9) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5857634:001, 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(4-ethylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-ethylphenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1,3,5-trihydro-4-imidazo lino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 1.70024 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 1335.8882 |
Chemical Identifiers
| CAS Number | 896823-41-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C)C |
Product Overview
UPCMLD0ENAT5857634:001 (CAS 896823-41-9), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5857634:001
Property Insights of UPCMLD0ENAT5857634:001
The XLogP value of 1.70024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5857634:001. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5857634:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5857634:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5857634:001?
The CAS number of UPCMLD0ENAT5857634:001 is 896823-41-9.
What is the molecular formula of UPCMLD0ENAT5857634:001?
The molecular formula of UPCMLD0ENAT5857634:001 is C21H25N5O3.
What is the molecular weight of UPCMLD0ENAT5857634:001?
The molecular weight of UPCMLD0ENAT5857634:001 is 395.20 g/mol.
Where can I buy UPCMLD0ENAT5857634:001?
You can request a quote for UPCMLD0ENAT5857634:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5857634:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5857634:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.