UPCMLD0ENAT5857599:001
TL;DR: UPCMLD0ENAT5857599:001 (CAS 896595-83-8) is a chemical compound with molecular formula C20H20ClN5O2 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5857599:001, 6-(4-chlorophenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione, 8-(4-chlorophenyl)-1,6,7-trimethyl-3-(2-methylprop-2-en-1-yl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 8-(4-chlorophenyl)-1,6,7-trimethyl-3-(2-methylprop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(4-chlorophenyl)-1,6,7-trimethyl-3-(2-methylallyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C20H20ClN5O2 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.98494 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.13055 |
| Heavy Atoms | 28 |
| Complexity | 1383.2318 |
Chemical Identifiers
| CAS Number | 896595-83-8 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)Cl)N(C(=O)N(C3=O)CC(=C)C)C)C |
Product Overview
UPCMLD0ENAT5857599:001 (CAS 896595-83-8), with molecular formula C20H20ClN5O2 and molecular weight 397.13 g/mol. IUPAC: 6-(4-chlorophenyl)-4,7,8-trimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5857599:001
Property Insights of UPCMLD0ENAT5857599:001
The XLogP value of 2.98494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5857599:001. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5857599:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5857599:001 has 0 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5857599:001?
The CAS number of UPCMLD0ENAT5857599:001 is 896595-83-8.
What is the molecular formula of UPCMLD0ENAT5857599:001?
The molecular formula of UPCMLD0ENAT5857599:001 is C20H20ClN5O2.
What is the molecular weight of UPCMLD0ENAT5857599:001?
The molecular weight of UPCMLD0ENAT5857599:001 is 397.13 g/mol.
Where can I buy UPCMLD0ENAT5857599:001?
You can request a quote for UPCMLD0ENAT5857599:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5857599:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5857599:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.