UPCMLD0ENAT5788532:001
TL;DR: UPCMLD0ENAT5788532:001 (CAS 838895-61-7) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-butylphenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5788532:001, 6-(4-butylphenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(4-butylphenyl)-3-(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione, 8-(4-butylphenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione, 8-(4-butylphenyl)-3-(2-methoxyethyl)-1-methyl-1,3,5-trihydroimidazolidino[1,2- h]purine-2,4-dione
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.0374 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1140.3086 |
Chemical Identifiers
| CAS Number | 838895-61-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCOC |
Product Overview
UPCMLD0ENAT5788532:001 (CAS 838895-61-7), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 6-(4-butylphenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5788532:001
Property Insights of UPCMLD0ENAT5788532:001
The XLogP value of 2.0374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5788532:001. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5788532:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5788532:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5788532:001?
The CAS number of UPCMLD0ENAT5788532:001 is 838895-61-7.
What is the molecular formula of UPCMLD0ENAT5788532:001?
The molecular formula of UPCMLD0ENAT5788532:001 is C21H27N5O3.
What is the molecular weight of UPCMLD0ENAT5788532:001?
The molecular weight of UPCMLD0ENAT5788532:001 is 397.21 g/mol.
Where can I buy UPCMLD0ENAT5788532:001?
You can request a quote for UPCMLD0ENAT5788532:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5788532:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5788532:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.