UPCMLD0ENAT5805093:001
TL;DR: UPCMLD0ENAT5805093:001 (CAS 896804-23-2) is a chemical compound with molecular formula C21H23FN6O3 and molecular weight 426.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5805093:001, F3235-1302, 8-(4-fluorophenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-(4-fluorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione, 8-(4-fluorophenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-1,3,5-trihydro-4-imi dazolino[1,2-h]purine-2,4-dione
| Molecular Formula | C21H23FN6O3 |
|---|---|
| Molecular Weight | 426.18 g/mol |
| LogP | 0.91832 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.18158 |
| Heavy Atoms | 31 |
| Complexity | 1389.5057 |
Chemical Identifiers
| CAS Number | 896804-23-2 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)F)N(C(=O)N(C3=O)CCN5CCOCC5)C |
Product Overview
UPCMLD0ENAT5805093:001 (CAS 896804-23-2), with molecular formula C21H23FN6O3 and molecular weight 426.18 g/mol. IUPAC: 6-(4-fluorophenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5805093:001
Property Insights of UPCMLD0ENAT5805093:001
The XLogP value of 0.91832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5805093:001. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5805093:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5805093:001 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 UPCMLD0ENAT5805093:001?
The CAS number of UPCMLD0ENAT5805093:001 is 896804-23-2.
What is the molecular formula of UPCMLD0ENAT5805093:001?
The molecular formula of UPCMLD0ENAT5805093:001 is C21H23FN6O3.
What is the molecular weight of UPCMLD0ENAT5805093:001?
The molecular weight of UPCMLD0ENAT5805093:001 is 426.18 g/mol.
Where can I buy UPCMLD0ENAT5805093:001?
You can request a quote for UPCMLD0ENAT5805093:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5805093:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5805093:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.