UPCMLD0ENAT5840740:001
TL;DR: UPCMLD0ENAT5840740:001 (CAS 893958-16-2) is a chemical compound with molecular formula C23H31N5O4 and molecular weight 441.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5840740:001, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methylpropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3,4-dimethoxyphenethyl)-3-isobutyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methylpropyl)-1,3,5-trihydro-6H ,7H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione, 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C23H31N5O4 |
|---|---|
| Molecular Weight | 441.24 g/mol |
| LogP | 2.0227 |
| Topological Polar Surface Area | 83.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.2376 |
| Heavy Atoms | 32 |
| Complexity | 1253.976 |
Chemical Identifiers
| CAS Number | 893958-16-2 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(N=C3N2CCCN3CCC4=CC(=C(C=C4)OC)OC)N(C1=O)C |
Product Overview
UPCMLD0ENAT5840740:001 (CAS 893958-16-2), with molecular formula C23H31N5O4 and molecular weight 441.24 g/mol. IUPAC: 9-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5840740:001
Property Insights of UPCMLD0ENAT5840740:001
The XLogP value of 2.0227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5840740:001. The TPSA of 83.52 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5840740:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5840740:001 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 UPCMLD0ENAT5840740:001?
The CAS number of UPCMLD0ENAT5840740:001 is 893958-16-2.
What is the molecular formula of UPCMLD0ENAT5840740:001?
The molecular formula of UPCMLD0ENAT5840740:001 is C23H31N5O4.
What is the molecular weight of UPCMLD0ENAT5840740:001?
The molecular weight of UPCMLD0ENAT5840740:001 is 441.24 g/mol.
Where can I buy UPCMLD0ENAT5840740:001?
You can request a quote for UPCMLD0ENAT5840740:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5840740:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5840740:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.