UPCMLD0ENAT5801431:001
TL;DR: UPCMLD0ENAT5801431:001 (CAS 843672-66-2) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: UPCMLD0ENAT5801431:001, methyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate, methyl [9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate, methyl 2-(9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, methyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-dia zaperhydroino[1,2-h]purin-3-yl]acetate
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 1.1739 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1202.8102 |
Chemical Identifiers
| CAS Number | 843672-66-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC |
Product Overview
UPCMLD0ENAT5801431:001 (CAS 843672-66-2), with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol. IUPAC: methyl 2-[9-(4-ethylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5801431:001
Property Insights of UPCMLD0ENAT5801431:001
The XLogP value of 1.1739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801431:001. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801431:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801431:001 has 0 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5801431:001?
The CAS number of UPCMLD0ENAT5801431:001 is 843672-66-2.
What is the molecular formula of UPCMLD0ENAT5801431:001?
The molecular formula of UPCMLD0ENAT5801431:001 is C20H23N5O4.
What is the molecular weight of UPCMLD0ENAT5801431:001?
The molecular weight of UPCMLD0ENAT5801431:001 is 397.18 g/mol.
Where can I buy UPCMLD0ENAT5801431:001?
You can request a quote for UPCMLD0ENAT5801431:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801431:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801431:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.