UPCMLD0ENAT5712969:001
TL;DR: UPCMLD0ENAT5712969:001 (CAS 846599-26-6) is a chemical compound with molecular formula C21H25N5O5 and molecular weight 427.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: UPCMLD0ENAT5712969:001, F3235-0640, ethyl [9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate, ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate, ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C21H25N5O5 |
|---|---|
| Molecular Weight | 427.19 g/mol |
| LogP | 1.2562 |
| Topological Polar Surface Area | 100.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.18558 |
| Heavy Atoms | 31 |
| Complexity | 1254.3767 |
Chemical Identifiers
| CAS Number | 846599-26-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)OC)C)N(C1=O)C |
Product Overview
UPCMLD0ENAT5712969:001 (CAS 846599-26-6), with molecular formula C21H25N5O5 and molecular weight 427.19 g/mol. IUPAC: ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of UPCMLD0ENAT5712969:001
Property Insights of UPCMLD0ENAT5712969:001
The XLogP value of 1.2562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5712969:001. The TPSA of 100.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5712969:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5712969:001 has 0 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5712969:001?
The CAS number of UPCMLD0ENAT5712969:001 is 846599-26-6.
What is the molecular formula of UPCMLD0ENAT5712969:001?
The molecular formula of UPCMLD0ENAT5712969:001 is C21H25N5O5.
What is the molecular weight of UPCMLD0ENAT5712969:001?
The molecular weight of UPCMLD0ENAT5712969:001 is 427.19 g/mol.
Where can I buy UPCMLD0ENAT5712969:001?
You can request a quote for UPCMLD0ENAT5712969:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5712969:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5712969:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.