UPCMLD0ENAT5793532:001
TL;DR: UPCMLD0ENAT5793532:001 (CAS 578746-14-2) is a chemical compound with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5793532:001, F1717-0024, 8-((dibenzylamino)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione, 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C26H29N5O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 2.7861 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.22705 |
| Heavy Atoms | 34 |
| Complexity | 1393.3153 |
Chemical Identifiers
| CAS Number | 578746-14-2 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5793532:001 (CAS 578746-14-2), with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5793532:001
Property Insights of UPCMLD0ENAT5793532:001
The XLogP value of 2.7861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5793532:001. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5793532:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5793532:001 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 UPCMLD0ENAT5793532:001?
The CAS number of UPCMLD0ENAT5793532:001 is 578746-14-2.
What is the molecular formula of UPCMLD0ENAT5793532:001?
The molecular formula of UPCMLD0ENAT5793532:001 is C26H29N5O3.
What is the molecular weight of UPCMLD0ENAT5793532:001?
The molecular weight of UPCMLD0ENAT5793532:001 is 459.23 g/mol.
Where can I buy UPCMLD0ENAT5793532:001?
You can request a quote for UPCMLD0ENAT5793532:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5793532:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5793532:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.