UPCMLD0ENAT5868484:001
TL;DR: UPCMLD0ENAT5868484:001 (CAS 872839-13-9) 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.
6-(4-chlorophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5868484:001, F2000-0369, 8-(4-chlorophenyl)-3-heptyl-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 6-(4-chlorophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(4-chlorophenyl)-3-heptyl-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
| Molecular Formula | C21H26ClN5O2 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 3.6722 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.1775 |
| Heavy Atoms | 29 |
| Complexity | 1143.0635 |
Chemical Identifiers
| CAS Number | 872839-13-9 |
|---|---|
| SMILES | CCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)Cl)N(C1=O)C |
Product Overview
UPCMLD0ENAT5868484:001 (CAS 872839-13-9), with molecular formula C21H26ClN5O2 and molecular weight 415.18 g/mol. IUPAC: 6-(4-chlorophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5868484:001
Property Insights of UPCMLD0ENAT5868484:001
The XLogP value of 3.6722 indicates that UPCMLD0ENAT5868484:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5868484:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5868484:001 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 UPCMLD0ENAT5868484:001?
The CAS number of UPCMLD0ENAT5868484:001 is 872839-13-9.
What is the molecular formula of UPCMLD0ENAT5868484:001?
The molecular formula of UPCMLD0ENAT5868484:001 is C21H26ClN5O2.
What is the molecular weight of UPCMLD0ENAT5868484:001?
The molecular weight of UPCMLD0ENAT5868484:001 is 415.18 g/mol.
Where can I buy UPCMLD0ENAT5868484:001?
You can request a quote for UPCMLD0ENAT5868484:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5868484:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5868484:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.