UPCMLD0ENAT5837811:001
TL;DR: UPCMLD0ENAT5837811:001 (CAS 872628-08-5) is a chemical compound with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5837811:001, AB00677653-01, AB00677653-07, 8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione, 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione
| Molecular Formula | C21H26N6O5 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 0.1347 |
| Topological Polar Surface Area | 115.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.19647 |
| Heavy Atoms | 32 |
| Complexity | 1290.9097 |
Chemical Identifiers
| CAS Number | 872628-08-5 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4 |
Product Overview
UPCMLD0ENAT5837811:001 (CAS 872628-08-5), with molecular formula C21H26N6O5 and molecular weight 442.20 g/mol. IUPAC: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837811:001
Property Insights of UPCMLD0ENAT5837811:001
The XLogP value of 0.1347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837811:001. The TPSA of 115.58 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837811:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837811:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5837811:001?
The CAS number of UPCMLD0ENAT5837811:001 is 872628-08-5.
What is the molecular formula of UPCMLD0ENAT5837811:001?
The molecular formula of UPCMLD0ENAT5837811:001 is C21H26N6O5.
What is the molecular weight of UPCMLD0ENAT5837811:001?
The molecular weight of UPCMLD0ENAT5837811:001 is 442.20 g/mol.
Where can I buy UPCMLD0ENAT5837811:001?
You can request a quote for UPCMLD0ENAT5837811:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837811:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837811:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.