UPCMLD0ENAT5788616:001
TL;DR: UPCMLD0ENAT5788616:001 (CAS 851938-49-3) is a chemical compound with molecular formula C21H25ClFN5O2 and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5788616:001, BAS 11174343, 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-((3-methylpiperidin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H25ClFN5O2 |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 2.5064 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.1681 |
| Heavy Atoms | 30 |
| Complexity | 1208.5804 |
Chemical Identifiers
| CAS Number | 851938-49-3 |
|---|---|
| SMILES | CC1CCCN(C1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5788616:001 (CAS 851938-49-3), with molecular formula C21H25ClFN5O2 and molecular weight 433.17 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5788616:001
Property Insights of UPCMLD0ENAT5788616:001
The XLogP value of 2.5064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5788616:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5788616:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5788616:001 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 UPCMLD0ENAT5788616:001?
The CAS number of UPCMLD0ENAT5788616:001 is 851938-49-3.
What is the molecular formula of UPCMLD0ENAT5788616:001?
The molecular formula of UPCMLD0ENAT5788616:001 is C21H25ClFN5O2.
What is the molecular weight of UPCMLD0ENAT5788616:001?
The molecular weight of UPCMLD0ENAT5788616:001 is 433.17 g/mol.
Where can I buy UPCMLD0ENAT5788616:001?
You can request a quote for UPCMLD0ENAT5788616:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5788616:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5788616:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.