UPCMLD0ENAT5815344:001
TL;DR: UPCMLD0ENAT5815344:001 (CAS 887697-18-9) is a chemical compound with molecular formula C20H21N5O3 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,7-trimethyl-6-[2-(2-methylprop-2-enoxy)phenyl]purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5815344:001, BAS 13765545, 2,4,7-trimethyl-6-[2-(2-methylprop-2-enoxy)phenyl]purino[7,8-a]imidazole-1,3-dione, 1,3,7-trimethyl-8-[2-(2-methylprop-2-enyloxy)phenyl]-1,3,5-trihydro-4-imidazol ino[1,2-h]purine-2,4-dione, 1,3,7-trimethyl-8-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
| Molecular Formula | C20H21N5O3 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 1.93892 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.16443 |
| Heavy Atoms | 28 |
| Complexity | 1366.7452 |
Chemical Identifiers
| CAS Number | 887697-18-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OCC(=C)C)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5815344:001 (CAS 887697-18-9), with molecular formula C20H21N5O3 and molecular weight 379.16 g/mol. IUPAC: 2,4,7-trimethyl-6-[2-(2-methylprop-2-enoxy)phenyl]purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5815344:001
Property Insights of UPCMLD0ENAT5815344:001
The XLogP value of 1.93892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5815344:001. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5815344:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5815344:001 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 UPCMLD0ENAT5815344:001?
The CAS number of UPCMLD0ENAT5815344:001 is 887697-18-9.
What is the molecular formula of UPCMLD0ENAT5815344:001?
The molecular formula of UPCMLD0ENAT5815344:001 is C20H21N5O3.
What is the molecular weight of UPCMLD0ENAT5815344:001?
The molecular weight of UPCMLD0ENAT5815344:001 is 379.16 g/mol.
Where can I buy UPCMLD0ENAT5815344:001?
You can request a quote for UPCMLD0ENAT5815344:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5815344:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5815344:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.