UPCMLD0ENAT5815230:001
TL;DR: UPCMLD0ENAT5815230:001 (CAS 878728-27-9) is a chemical compound with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5815230:001, BAS 13029712, AB00682963-01, F3124-0145, 8-(2,5-dimethylphenyl)-1,7-dimethyl-3-(3-oxobutan-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C21H23N5O3 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 2.21386 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.18008 |
| Heavy Atoms | 29 |
| Complexity | 1431.0458 |
Chemical Identifiers
| CAS Number | 878728-27-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C(C)C(=O)C)C |
Product Overview
UPCMLD0ENAT5815230:001 (CAS 878728-27-9), with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol. IUPAC: 6-(2,5-dimethylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5815230:001
Property Insights of UPCMLD0ENAT5815230:001
The XLogP value of 2.21386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5815230:001. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5815230:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5815230:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5815230:001?
The CAS number of UPCMLD0ENAT5815230:001 is 878728-27-9.
What is the molecular formula of UPCMLD0ENAT5815230:001?
The molecular formula of UPCMLD0ENAT5815230:001 is C21H23N5O3.
What is the molecular weight of UPCMLD0ENAT5815230:001?
The molecular weight of UPCMLD0ENAT5815230:001 is 393.18 g/mol.
Where can I buy UPCMLD0ENAT5815230:001?
You can request a quote for UPCMLD0ENAT5815230:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5815230:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5815230:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.