UPCMLD0ENAT5783467:001
TL;DR: UPCMLD0ENAT5783467:001 (CAS 893960-55-9) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-methyl-2-(2-methylprop-2-enyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: UPCMLD0ENAT5783467:001, ethyl 4-[1-methyl-3-(2-methylprop-2-en-1-yl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl]benzoate, ethyl 4-(1-methyl-3-(2-methylallyl)-2,4-dioxo-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, ethyl 4-[1-methyl-3-(2-methylprop-2-en-1-yl)-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate, ethyl 4-[1-methyl-3-(2-methylprop-2-enyl)-2,4-dioxo-1,3,5-trihydroimidazolidin o[1,2-h]purin-8-yl]benzoate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.8012 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1279.9446 |
Chemical Identifiers
| CAS Number | 893960-55-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C |
Product Overview
UPCMLD0ENAT5783467:001 (CAS 893960-55-9), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: ethyl 4-[4-methyl-2-(2-methylprop-2-enyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of UPCMLD0ENAT5783467:001
Property Insights of UPCMLD0ENAT5783467:001
The XLogP value of 1.8012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5783467:001. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5783467:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5783467:001 has 0 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 UPCMLD0ENAT5783467:001?
The CAS number of UPCMLD0ENAT5783467:001 is 893960-55-9.
What is the molecular formula of UPCMLD0ENAT5783467:001?
The molecular formula of UPCMLD0ENAT5783467:001 is C21H23N5O4.
What is the molecular weight of UPCMLD0ENAT5783467:001?
The molecular weight of UPCMLD0ENAT5783467:001 is 409.18 g/mol.
Where can I buy UPCMLD0ENAT5783467:001?
You can request a quote for UPCMLD0ENAT5783467:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5783467:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5783467:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.