UPCMLD0ENAT5796632:001
TL;DR: UPCMLD0ENAT5796632:001 (CAS 899391-62-9) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4,7-dimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate
Also Known As: UPCMLD0ENAT5796632:001, VU0606783-1, F3235-1365, methyl 3-[4,7-dimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate, methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenethyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.26362 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1357.8058 |
Chemical Identifiers
| CAS Number | 899391-62-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC(=O)OC)C |
Product Overview
UPCMLD0ENAT5796632:001 (CAS 899391-62-9), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: methyl 3-[4,7-dimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate.
Chemical Property Profile of UPCMLD0ENAT5796632:001
Property Insights of UPCMLD0ENAT5796632:001
The XLogP value of 1.26362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5796632:001. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5796632:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5796632:001 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 UPCMLD0ENAT5796632:001?
The CAS number of UPCMLD0ENAT5796632:001 is 899391-62-9.
What is the molecular formula of UPCMLD0ENAT5796632:001?
The molecular formula of UPCMLD0ENAT5796632:001 is C21H23N5O4.
What is the molecular weight of UPCMLD0ENAT5796632:001?
The molecular weight of UPCMLD0ENAT5796632:001 is 409.18 g/mol.
Where can I buy UPCMLD0ENAT5796632:001?
You can request a quote for UPCMLD0ENAT5796632:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5796632:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5796632:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.