UPCMLD0ENAT5796637:001
TL;DR: UPCMLD0ENAT5796637:001 (CAS 873076-95-0) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5796637:001, F2013-0235, 9-benzyl-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-benzyl-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 1-methyl-3-(2-morpholin-4-ylethyl)-9-benzyl-1,3,5-trihydro-6H,7H,8H-1,3-diazap erhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.6392 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1189.9071 |
Chemical Identifiers
| CAS Number | 873076-95-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCN3CCOCC3)N4CCCN(C4=N2)CC5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5796637:001 (CAS 873076-95-0), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 9-benzyl-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5796637:001
Property Insights of UPCMLD0ENAT5796637:001
The XLogP value of 0.6392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5796637:001. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5796637:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5796637:001 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 UPCMLD0ENAT5796637:001?
The CAS number of UPCMLD0ENAT5796637:001 is 873076-95-0.
What is the molecular formula of UPCMLD0ENAT5796637:001?
The molecular formula of UPCMLD0ENAT5796637:001 is C22H28N6O3.
What is the molecular weight of UPCMLD0ENAT5796637:001?
The molecular weight of UPCMLD0ENAT5796637:001 is 424.22 g/mol.
Where can I buy UPCMLD0ENAT5796637:001?
You can request a quote for UPCMLD0ENAT5796637:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5796637:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5796637:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.