UPCMLD0ENAT5774775:001
TL;DR: UPCMLD0ENAT5774775:001 (CAS 851938-30-2) is a chemical compound with molecular formula C21H26ClN5O2 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5774775:001, F0634-0195, 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]purine-2,6-dione
| Molecular Formula | C21H26ClN5O2 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 2.5098 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1775 |
| Heavy Atoms | 29 |
| Complexity | 1159.0038 |
Chemical Identifiers
| CAS Number | 851938-30-2 |
|---|---|
| SMILES | CC1CCCCN1CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5774775:001 (CAS 851938-30-2), with molecular formula C21H26ClN5O2 and molecular weight 415.18 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5774775:001
Property Insights of UPCMLD0ENAT5774775:001
The XLogP value of 2.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774775:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774775:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774775:001 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 UPCMLD0ENAT5774775:001?
The CAS number of UPCMLD0ENAT5774775:001 is 851938-30-2.
What is the molecular formula of UPCMLD0ENAT5774775:001?
The molecular formula of UPCMLD0ENAT5774775:001 is C21H26ClN5O2.
What is the molecular weight of UPCMLD0ENAT5774775:001?
The molecular weight of UPCMLD0ENAT5774775:001 is 415.18 g/mol.
Where can I buy UPCMLD0ENAT5774775:001?
You can request a quote for UPCMLD0ENAT5774775:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774775:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774775:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.