UPCMLD0ENAT5732766:001
TL;DR: UPCMLD0ENAT5732766:001 (CAS 893952-63-1) is a chemical compound with molecular formula C17H18FN5O2 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5732766:001, 3-ethyl-9-(4-fluorophenyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-ethyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-ethyl-9-(4-fluorophenyl)-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroi no[1,2-h]purine-2,4-dione
| Molecular Formula | C17H18FN5O2 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 1.5975 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.14444 |
| Heavy Atoms | 25 |
| Complexity | 1077.5869 |
Chemical Identifiers
| CAS Number | 893952-63-1 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)F)N(C1=O)C |
Product Overview
UPCMLD0ENAT5732766:001 (CAS 893952-63-1), with molecular formula C17H18FN5O2 and molecular weight 343.14 g/mol. IUPAC: 3-ethyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5732766:001
Property Insights of UPCMLD0ENAT5732766:001
The XLogP value of 1.5975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5732766:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5732766:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5732766:001 has 0 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 UPCMLD0ENAT5732766:001?
The CAS number of UPCMLD0ENAT5732766:001 is 893952-63-1.
What is the molecular formula of UPCMLD0ENAT5732766:001?
The molecular formula of UPCMLD0ENAT5732766:001 is C17H18FN5O2.
What is the molecular weight of UPCMLD0ENAT5732766:001?
The molecular weight of UPCMLD0ENAT5732766:001 is 343.14 g/mol.
Where can I buy UPCMLD0ENAT5732766:001?
You can request a quote for UPCMLD0ENAT5732766:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5732766:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5732766:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.