UPCMLD0ENAT5783577:001
TL;DR: UPCMLD0ENAT5783577:001 (CAS 893972-80-0) is a chemical compound with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5783577:001, 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, F1890-0082, 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione, 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H23Cl2N5O2 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 2.7747 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1229 |
| Heavy Atoms | 29 |
| Complexity | 1168.0204 |
Chemical Identifiers
| CAS Number | 893972-80-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=C(C=CC=C4Cl)Cl |
Product Overview
UPCMLD0ENAT5783577:001 (CAS 893972-80-0), with molecular formula C20H23Cl2N5O2 and molecular weight 435.12 g/mol. IUPAC: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5783577:001
Property Insights of UPCMLD0ENAT5783577:001
The XLogP value of 2.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5783577:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5783577:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5783577:001 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 UPCMLD0ENAT5783577:001?
The CAS number of UPCMLD0ENAT5783577:001 is 893972-80-0.
What is the molecular formula of UPCMLD0ENAT5783577:001?
The molecular formula of UPCMLD0ENAT5783577:001 is C20H23Cl2N5O2.
What is the molecular weight of UPCMLD0ENAT5783577:001?
The molecular weight of UPCMLD0ENAT5783577:001 is 435.12 g/mol.
Where can I buy UPCMLD0ENAT5783577:001?
You can request a quote for UPCMLD0ENAT5783577:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5783577:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5783577:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.