UPCMLD0ENAT5936810:001
TL;DR: UPCMLD0ENAT5936810:001 (CAS 896838-12-3) is a chemical compound with molecular formula C22H25N5O4 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4,7,8-trimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate
Also Known As: UPCMLD0ENAT5936810:001, methyl 3-[1,6,7-trimethyl-2,4-dioxo-8-(2-phenylethyl)-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate, methyl 3-(4,7,8-trimethyl-1,3-dioxo-6-phenethylpurino[7,8-a]imidazol-2-yl)propanoate, methyl 3-(1,6,7-trimethyl-2,4-dioxo-8-phenethyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
| Molecular Formula | C22H25N5O4 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 1.57204 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.19064 |
| Heavy Atoms | 31 |
| Complexity | 1405.7004 |
Chemical Identifiers
| CAS Number | 896838-12-3 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(=O)OC)C)C |
Product Overview
UPCMLD0ENAT5936810:001 (CAS 896838-12-3), with molecular formula C22H25N5O4 and molecular weight 423.19 g/mol. IUPAC: methyl 3-[4,7,8-trimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate.
Chemical Property Profile of UPCMLD0ENAT5936810:001
Property Insights of UPCMLD0ENAT5936810:001
The XLogP value of 1.57204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5936810:001. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5936810:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5936810:001 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 UPCMLD0ENAT5936810:001?
The CAS number of UPCMLD0ENAT5936810:001 is 896838-12-3.
What is the molecular formula of UPCMLD0ENAT5936810:001?
The molecular formula of UPCMLD0ENAT5936810:001 is C22H25N5O4.
What is the molecular weight of UPCMLD0ENAT5936810:001?
The molecular weight of UPCMLD0ENAT5936810:001 is 423.19 g/mol.
Where can I buy UPCMLD0ENAT5936810:001?
You can request a quote for UPCMLD0ENAT5936810:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5936810:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5936810:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.