UPCMLD0ENAT5820217:001
TL;DR: UPCMLD0ENAT5820217:001 (CAS 878734-85-1) is a chemical compound with molecular formula C16H21N5O4 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-propan-2-ylpurino[7,8-a]imidazol-2-yl)acetate
Also Known As: UPCMLD0ENAT5820217:001, BAS 13030282, F3124-0711, methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-propan-2-ylpurino[7,8-a]imidazol-2-yl)acetate, methyl 2-(8-isopropyl-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
| Molecular Formula | C16H21N5O4 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 0.52014 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.15936 |
| Heavy Atoms | 25 |
| Complexity | 1125.9769 |
Chemical Identifiers
| CAS Number | 878734-85-1 |
|---|---|
| SMILES | CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC(=O)OC)C(C)C)C |
Product Overview
UPCMLD0ENAT5820217:001 (CAS 878734-85-1), with molecular formula C16H21N5O4 and molecular weight 347.16 g/mol. IUPAC: methyl 2-(4,7,8-trimethyl-1,3-dioxo-6-propan-2-ylpurino[7,8-a]imidazol-2-yl)acetate.
Chemical Property Profile of UPCMLD0ENAT5820217:001
Property Insights of UPCMLD0ENAT5820217:001
The XLogP value of 0.52014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5820217:001. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5820217:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5820217:001 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 UPCMLD0ENAT5820217:001?
The CAS number of UPCMLD0ENAT5820217:001 is 878734-85-1.
What is the molecular formula of UPCMLD0ENAT5820217:001?
The molecular formula of UPCMLD0ENAT5820217:001 is C16H21N5O4.
What is the molecular weight of UPCMLD0ENAT5820217:001?
The molecular weight of UPCMLD0ENAT5820217:001 is 347.16 g/mol.
Where can I buy UPCMLD0ENAT5820217:001?
You can request a quote for UPCMLD0ENAT5820217:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5820217:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5820217:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.