UPCMLD0ENAT5835670:001
TL;DR: UPCMLD0ENAT5835670:001 (CAS 851940-30-2) is a chemical compound with molecular formula C21H26Cl2N6O3 and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,4-dichlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5835670:001, 7-(2,4-dichlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2,4-dichlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-(2,4-dichlorobenzyl)-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2,4-dichlorophenyl)methyl]-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H26Cl2N6O3 |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 0.8987 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.14435 |
| Heavy Atoms | 32 |
| Complexity | 1257.1241 |
Chemical Identifiers
| CAS Number | 851940-30-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CCO)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
UPCMLD0ENAT5835670:001 (CAS 851940-30-2), with molecular formula C21H26Cl2N6O3 and molecular weight 480.14 g/mol. IUPAC: 7-[(2,4-dichlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5835670:001
Property Insights of UPCMLD0ENAT5835670:001
The XLogP value of 0.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835670:001. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835670:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835670:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5835670:001?
The CAS number of UPCMLD0ENAT5835670:001 is 851940-30-2.
What is the molecular formula of UPCMLD0ENAT5835670:001?
The molecular formula of UPCMLD0ENAT5835670:001 is C21H26Cl2N6O3.
What is the molecular weight of UPCMLD0ENAT5835670:001?
The molecular weight of UPCMLD0ENAT5835670:001 is 480.14 g/mol.
Where can I buy UPCMLD0ENAT5835670:001?
You can request a quote for UPCMLD0ENAT5835670:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835670:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835670:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.