UPCMLD0ENAT5801471:001
TL;DR: UPCMLD0ENAT5801471:001 (CAS 847046-82-6) is a chemical compound with molecular formula C23H30N6O3 and molecular weight 438.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5801471:001, VU0182682-5, 9-(3,5-dimethylphenyl)-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3,5-dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 9-(3,5-dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-1,3,5-trihydro-6H,7H ,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C23H30N6O3 |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.23795 |
| Heavy Atoms | 32 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 847046-82-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCN5CCOCC5)C |
| InChIKey | YRXJGRAVQYIBSQ-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5801471:001 (CAS 847046-82-6), with molecular formula C23H30N6O3 and molecular weight 438.24 g/mol. IUPAC: 9-(3,5-dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5801471:001
Property Insights of UPCMLD0ENAT5801471:001
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801471:001. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801471:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801471:001 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 UPCMLD0ENAT5801471:001?
The CAS number of UPCMLD0ENAT5801471:001 is 847046-82-6.
What is the molecular formula of UPCMLD0ENAT5801471:001?
The molecular formula of UPCMLD0ENAT5801471:001 is C23H30N6O3.
What is the molecular weight of UPCMLD0ENAT5801471:001?
The molecular weight of UPCMLD0ENAT5801471:001 is 438.24 g/mol.
Where can I buy UPCMLD0ENAT5801471:001?
You can request a quote for UPCMLD0ENAT5801471:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801471:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801471:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.