UPCMLD0ENAT5878505:001
TL;DR: UPCMLD0ENAT5878505:001 (CAS 862192-61-8) is a chemical compound with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-3-[(4-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5878505:001, VU0187254-4, 9-benzyl-3-(4-fluorobenzyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-benzyl-3-[(4-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-benzyl-3-[(4-fluorophenyl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C23H22FN5O2 |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.17575 |
| Heavy Atoms | 31 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 862192-61-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)F)N4CCCN(C4=N2)CC5=CC=CC=C5 |
| InChIKey | VFXGBAOPKLAYLT-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5878505:001 (CAS 862192-61-8), with molecular formula C23H22FN5O2 and molecular weight 419.18 g/mol. IUPAC: 9-benzyl-3-[(4-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5878505:001
Property Insights of UPCMLD0ENAT5878505:001
The XLogP value of 3.2 indicates that UPCMLD0ENAT5878505:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5878505:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5878505:001 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 UPCMLD0ENAT5878505:001?
The CAS number of UPCMLD0ENAT5878505:001 is 862192-61-8.
What is the molecular formula of UPCMLD0ENAT5878505:001?
The molecular formula of UPCMLD0ENAT5878505:001 is C23H22FN5O2.
What is the molecular weight of UPCMLD0ENAT5878505:001?
The molecular weight of UPCMLD0ENAT5878505:001 is 419.18 g/mol.
Where can I buy UPCMLD0ENAT5878505:001?
You can request a quote for UPCMLD0ENAT5878505:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5878505:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5878505:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.