UPCMLD0ENAT5821809:001
TL;DR: UPCMLD0ENAT5821809:001 (CAS 847408-69-9) is a chemical compound with molecular formula C20H23ClFN5O3 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5821809:001, F0669-0512, 7-(2-chloro-6-fluorobenzyl)-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylpurine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-8-((2,6-dimethylmorpholino)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H23ClFN5O3 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 1.8733 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.14734 |
| Heavy Atoms | 30 |
| Complexity | 1187.3479 |
Chemical Identifiers
| CAS Number | 847408-69-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5821809:001 (CAS 847408-69-9), with molecular formula C20H23ClFN5O3 and molecular weight 435.15 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5821809:001
Property Insights of UPCMLD0ENAT5821809:001
The XLogP value of 1.8733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5821809:001. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5821809:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5821809:001 has 1 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 UPCMLD0ENAT5821809:001?
The CAS number of UPCMLD0ENAT5821809:001 is 847408-69-9.
What is the molecular formula of UPCMLD0ENAT5821809:001?
The molecular formula of UPCMLD0ENAT5821809:001 is C20H23ClFN5O3.
What is the molecular weight of UPCMLD0ENAT5821809:001?
The molecular weight of UPCMLD0ENAT5821809:001 is 435.15 g/mol.
Where can I buy UPCMLD0ENAT5821809:001?
You can request a quote for UPCMLD0ENAT5821809:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5821809:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5821809:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.